N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine

C17H25BrN2O3 — CID 124545838

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESCOc1cc(Br)c(CNC[C@@H]2CN(C3CC3)CCO2)cc1OC
InChIInChI=1S/C17H25BrN2O3/c1-21-16-7-12(15(18)8-17(16)22-2)9-19-10-14-11-20(5-6-23-14)13-3-4-13/h7-8,13-14,19H,3-6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyQULDFMAVXKCNLK-CQSZACIVSA-N
MW385.30 g/mol
LogP2.42
Rot. Bonds7

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine (PubChem CID 124545838) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
PubChem CID124545838
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESCOc1cc(Br)c(CNC[C@@H]2CN(C3CC3)CCO2)cc1OC
InChIInChI=1S/C17H25BrN2O3/c1-21-16-7-12(15(18)8-17(16)22-2)9-19-10-14-11-20(5-6-23-14)13-3-4-13/h7-8,13-14,19H,3-6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyQULDFMAVXKCNLK-CQSZACIVSA-N
XLogP2.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine with MolForge

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Related Compounds

4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol
CID 119124659
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 119124637
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
CID 119124665
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
CID 119124635
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine
CID 119124673
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide
CID 97225738
(2R,5R)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide
CID 97225739
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxy-2-propoxyphenyl)methyl]methanamine
CID 119124588
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine (CID 124545838) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine is COc1cc(Br)c(CNC[C@@H]2CN(C3CC3)CCO2)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
The InChIKey is QULDFMAVXKCNLK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-21-16-7-12(15(18)8-17(16)22-2)9-19-10-14-11-20(5-6-23-14)13-3-4-13/h7-8,13-14,19H,3-6,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine has a molecular weight of 385.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine is sourced from PubChem (CID 124545838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).