2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine

C16H26BrN — CID 63522974

IUPAC2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CNC(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c1-4-5-6-15(12-18-13(2)3)11-14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyVZKAHSHQNIHLEI-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.80
Rot. Bonds8

About 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine

2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine (PubChem CID 63522974) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
PubChem CID63522974
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CNC(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c1-4-5-6-15(12-18-13(2)3)11-14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyVZKAHSHQNIHLEI-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

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Related Compounds

2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
2-[(4-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323210
2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502
1-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
2-[(4-bromophenyl)methyl]hexan-1-ol
CID 66059467
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
1-bromo-4-[2-(bromomethyl)decyl]benzene
CID 66042495
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine (CID 63522974) is 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine is CCCCC(CNC(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine?
The InChIKey is VZKAHSHQNIHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-4-5-6-15(12-18-13(2)3)11-14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine?
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine has a molecular weight of 312.29 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 63522974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).