2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine

C18H24BrNO — CID 83178583

IUPAC2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
SMILESCC(C)(C)NCC(Cc1ccc(Br)cc1)Cc1ccoc1
InChIInChI=1S/C18H24BrNO/c1-18(2,3)20-12-16(11-15-8-9-21-13-15)10-14-4-6-17(19)7-5-14/h4-9,13,16,20H,10-12H2,1-3H3
InChIKeyFDSCBNCEJJHIOV-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.83
Rot. Bonds6

About 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine

2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine (PubChem CID 83178583) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
PubChem CID83178583
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine
SMILESCC(C)(C)NCC(Cc1ccc(Br)cc1)Cc1ccoc1
InChIInChI=1S/C18H24BrNO/c1-18(2,3)20-12-16(11-15-8-9-21-13-15)10-14-4-6-17(19)7-5-14/h4-9,13,16,20H,10-12H2,1-3H3
InChIKeyFDSCBNCEJJHIOV-UHFFFAOYSA-N
XLogP4.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
CID 83182392
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83183089
1-(4-bromophenyl)-2-(furan-3-yl)ethanol
CID 83173019
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 83178421
4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
CID 83183227
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine (CID 83178583) is 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine is CC(C)(C)NCC(Cc1ccc(Br)cc1)Cc1ccoc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine?
The InChIKey is FDSCBNCEJJHIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-18(2,3)20-12-16(11-15-8-9-21-13-15)10-14-4-6-17(19)7-5-14/h4-9,13,16,20H,10-12H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine?
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(furan-3-yl)propan-1-amine is sourced from PubChem (CID 83178583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).