N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

C15H22BrNO — CID 113227437

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCCCOc1ccc(Br)cc1CNCC1CC1C
InChIInChI=1S/C15H22BrNO/c1-3-6-18-15-5-4-14(16)8-13(15)10-17-9-12-7-11(12)2/h4-5,8,11-12,17H,3,6-7,9-10H2,1-2H3
InChIKeyGPNVWROMIMKQTI-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.98
Rot. Bonds7

About N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 113227437) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID113227437
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCCCOc1ccc(Br)cc1CNCC1CC1C
InChIInChI=1S/C15H22BrNO/c1-3-6-18-15-5-4-14(16)8-13(15)10-17-9-12-7-11(12)2/h4-5,8,11-12,17H,3,6-7,9-10H2,1-2H3
InChIKeyGPNVWROMIMKQTI-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine with MolForge

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Related Compounds

2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64929093
N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29224673
N-[(5-bromo-2-propoxyphenyl)methyl]-1-cyclohex-3-en-1-ylmethanamine
CID 63478976
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295157
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241663
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 62524190
N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine
CID 43277545

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 113227437) is N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is CCCOc1ccc(Br)cc1CNCC1CC1C.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is GPNVWROMIMKQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-6-18-15-5-4-14(16)8-13(15)10-17-9-12-7-11(12)2/h4-5,8,11-12,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 312.25 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 113227437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).