2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine

C20H26BrN — CID 63496194

IUPAC2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
SMILESCC(C)(C)NCC(Cc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C20H26BrN/c1-20(2,3)22-15-18(12-16-8-5-4-6-9-16)13-17-10-7-11-19(21)14-17/h4-11,14,18,22H,12-13,15H2,1-3H3
InChIKeyNZWQRDSRNLBEAW-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.24
Rot. Bonds6

About 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine

2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine (PubChem CID 63496194) has the molecular formula C20H26BrN and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
PubChem CID63496194
Molecular FormulaC20H26BrN
Molecular Weight360.34 g/mol
Exact Mass359.12
IUPAC Name2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
SMILESCC(C)(C)NCC(Cc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C20H26BrN/c1-20(2,3)22-15-18(12-16-8-5-4-6-9-16)13-17-10-7-11-19(21)14-17/h4-11,14,18,22H,12-13,15H2,1-3H3
InChIKeyNZWQRDSRNLBEAW-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
CID 103036645
2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 62515402
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
CID 83178583
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine
CID 83047496
2-[(3-bromophenyl)methyl]-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
CID 82925875

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine (CID 63496194) is 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine is CC(C)(C)NCC(Cc1ccccc1)Cc1cccc(Br)c1.
What is the InChIKey of 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine?
The InChIKey is NZWQRDSRNLBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN/c1-20(2,3)22-15-18(12-16-8-5-4-6-9-16)13-17-10-7-11-19(21)14-17/h4-11,14,18,22H,12-13,15H2,1-3H3.
What are the key properties of 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine?
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine has a molecular weight of 360.34 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine is sourced from PubChem (CID 63496194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).