2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine

C16H26BrN — CID 55195646

IUPAC2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c1-5-6-14(12-18-16(2,3)4)11-13-7-9-15(17)10-8-13/h7-10,14,18H,5-6,11-12H2,1-4H3
InChIKeyKCLYYHNYXBHZDO-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.80
Rot. Bonds6

About 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine

2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine (PubChem CID 55195646) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
PubChem CID55195646
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c1-5-6-14(12-18-16(2,3)4)11-13-7-9-15(17)10-8-13/h7-10,14,18H,5-6,11-12H2,1-4H3
InChIKeyKCLYYHNYXBHZDO-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
CID 83178583
2-[(4-bromophenyl)methyl]pentan-1-amine
CID 62505880
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
N-tert-butyl-2-(furan-2-ylmethyl)pentan-1-amine
CID 62998488
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine (CID 55195646) is 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine is CCCC(CNC(C)(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
The InChIKey is KCLYYHNYXBHZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-5-6-14(12-18-16(2,3)4)11-13-7-9-15(17)10-8-13/h7-10,14,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine has a molecular weight of 312.29 g/mol, XLogP of 4.80, 6 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-tert-butylpentan-1-amine is sourced from PubChem (CID 55195646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).