2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine

C16H26BrN — CID 63496756

IUPAC2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-5-7-14(12-18-16(2,3)4)10-13-8-6-9-15(17)11-13/h6,8-9,11,14,18H,5,7,10,12H2,1-4H3
InChIKeyJUYGSGPLMUVJLZ-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.80
Rot. Bonds6

About 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine

2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine (PubChem CID 63496756) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
PubChem CID63496756
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-5-7-14(12-18-16(2,3)4)10-13-8-6-9-15(17)11-13/h6,8-9,11,14,18H,5,7,10,12H2,1-4H3
InChIKeyJUYGSGPLMUVJLZ-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

2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine
CID 83047496
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
2-[(3-bromophenyl)methyl]-4-tert-butylsulfonyl-N-methylbutan-1-amine
CID 106729740
2-[(3-bromophenyl)methyl]-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617658

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine (CID 63496756) is 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine is CCCC(CNC(C)(C)C)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
The InChIKey is JUYGSGPLMUVJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-5-7-14(12-18-16(2,3)4)10-13-8-6-9-15(17)11-13/h6,8-9,11,14,18H,5,7,10,12H2,1-4H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine?
2-[(3-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-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine is sourced from PubChem (CID 63496756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).