N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine

C16H24BrNO2 — CID 783018

IUPACN-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(Br)c(OC)cc1OC)CC1CC1
InChIInChI=1S/C16H24BrNO2/c1-4-7-18(10-12-5-6-12)11-13-8-14(17)16(20-3)9-15(13)19-2/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyGLQROGMOZWQQMM-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.09
Rot. Bonds8

About N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine

N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 783018) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine
PubChem CID783018
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(Br)c(OC)cc1OC)CC1CC1
InChIInChI=1S/C16H24BrNO2/c1-4-7-18(10-12-5-6-12)11-13-8-14(17)16(20-3)9-15(13)19-2/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyGLQROGMOZWQQMM-UHFFFAOYSA-N
XLogP4.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine (CID 783018) is N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine is CCCN(Cc1cc(Br)c(OC)cc1OC)CC1CC1.
What is the InChIKey of N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is GLQROGMOZWQQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-7-18(10-12-5-6-12)11-13-8-14(17)16(20-3)9-15(13)19-2/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine?
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 783018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).