2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine

C18H24BrNO — CID 63521934

IUPAC2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(Cc1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C18H24BrNO/c1-14(2)12-20-13-16(11-18-7-4-8-21-18)9-15-5-3-6-17(19)10-15/h3-8,10,14,16,20H,9,11-13H2,1-2H3
InChIKeyJCZFUIMGOQRRER-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.69
Rot. Bonds8

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

2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 63521934) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
PubChem CID63521934
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(Cc1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C18H24BrNO/c1-14(2)12-20-13-16(11-18-7-4-8-21-18)9-15-5-3-6-17(19)10-15/h3-8,10,14,16,20H,9,11-13H2,1-2H3
InChIKeyJCZFUIMGOQRRER-UHFFFAOYSA-N
XLogP4.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62999421
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 62998868
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63496906
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323271

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine (CID 63521934) is 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(Cc1cccc(Br)c1)Cc1ccco1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is JCZFUIMGOQRRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-14(2)12-20-13-16(11-18-7-4-8-21-18)9-15-5-3-6-17(19)10-15/h3-8,10,14,16,20H,9,11-13H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 63521934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).