2-[(3-bromophenyl)methyl]heptan-1-amine

C14H22BrN — CID 63495988

IUPAC2-[(3-bromophenyl)methyl]heptan-1-amine
SMILESCCCCCC(CN)Cc1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-2-3-4-6-13(11-16)9-12-7-5-8-14(15)10-12/h5,7-8,10,13H,2-4,6,9,11,16H2,1H3
InChIKeySSNFAIGQBAHNPE-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.15
Rot. Bonds7

About 2-[(3-bromophenyl)methyl]heptan-1-amine

2-[(3-bromophenyl)methyl]heptan-1-amine (PubChem CID 63495988) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]heptan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]heptan-1-amine
PubChem CID63495988
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name2-[(3-bromophenyl)methyl]heptan-1-amine
SMILESCCCCCC(CN)Cc1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-2-3-4-6-13(11-16)9-12-7-5-8-14(15)10-12/h5,7-8,10,13H,2-4,6,9,11,16H2,1H3
InChIKeySSNFAIGQBAHNPE-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
1-(3-bromophenyl)octan-2-ol
CID 63411241
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
2-[(3-bromophenyl)methyl]-4-(3-methylbutoxy)butan-1-amine
CID 62529993
2-[[3-(trifluoromethylsulfanyl)phenyl]methyl]heptan-1-amine
CID 70607325
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine
CID 104566257
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]heptan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]heptan-1-amine (CID 63495988) is 2-[(3-bromophenyl)methyl]heptan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]heptan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]heptan-1-amine is CCCCCC(CN)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]heptan-1-amine?
The InChIKey is SSNFAIGQBAHNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-2-3-4-6-13(11-16)9-12-7-5-8-14(15)10-12/h5,7-8,10,13H,2-4,6,9,11,16H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl]heptan-1-amine?
2-[(3-bromophenyl)methyl]heptan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]heptan-1-amine is sourced from PubChem (CID 63495988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).