2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine

C16H26BrN — CID 55221533

IUPAC2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
SMILESCCCCCC(CNCC)Cc1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-3-5-6-9-14(13-18-4-2)12-15-10-7-8-11-16(15)17/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3
InChIKeyMRCVFRAPFBOQIY-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.80
Rot. Bonds9

About 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine

2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine (PubChem CID 55221533) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
PubChem CID55221533
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
SMILESCCCCCC(CNCC)Cc1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-3-5-6-9-14(13-18-4-2)12-15-10-7-8-11-16(15)17/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3
InChIKeyMRCVFRAPFBOQIY-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.80
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-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
CID 63520892
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165923
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
2-[(2-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943389

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine (CID 55221533) is 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine is CCCCCC(CNCC)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine?
The InChIKey is MRCVFRAPFBOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-3-5-6-9-14(13-18-4-2)12-15-10-7-8-11-16(15)17/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine?
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine has a molecular weight of 312.29 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine is sourced from PubChem (CID 55221533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).