N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine

C16H26BrNO — CID 106023506

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cc(OC)ccc1Br
InChIInChI=1S/C16H26BrNO/c1-4-6-8-14(7-5-2)18-12-13-11-15(19-3)9-10-16(13)17/h9-11,14,18H,4-8,12H2,1-3H3
InChIKeyPUHCTCKFSMMYSU-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.91
Rot. Bonds9

About N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine

N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine (PubChem CID 106023506) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
PubChem CID106023506
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cc(OC)ccc1Br
InChIInChI=1S/C16H26BrNO/c1-4-6-8-14(7-5-2)18-12-13-11-15(19-3)9-10-16(13)17/h9-11,14,18H,4-8,12H2,1-3H3
InChIKeyPUHCTCKFSMMYSU-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
N-[(2-bromo-5-methoxyphenyl)methyl]hex-1-yn-3-amine
CID 106226851
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
3-[(2-bromo-5-methoxyphenyl)methylamino]pentanenitrile
CID 113442362
N-[(2-bromo-5-methoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271187
N-[(2-bromo-5-fluorophenyl)methyl]undecan-6-amine
CID 63452545
N-[(2-bromo-4-fluorophenyl)methyl]octan-4-amine
CID 106023088
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chlorobutan-2-amine
CID 83186503
2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
CID 62118733
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
CID 115862221
2-N-[(2-bromo-5-methoxyphenyl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 65324217
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine (CID 106023506) is N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine is CCCCC(CCC)NCc1cc(OC)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine?
The InChIKey is PUHCTCKFSMMYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-4-6-8-14(7-5-2)18-12-13-11-15(19-3)9-10-16(13)17/h9-11,14,18H,4-8,12H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine has a molecular weight of 328.29 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine is sourced from PubChem (CID 106023506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).