N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine

C17H22ClNO — CID 79438464

IUPACN-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO/c1-13(2)11-19-12-15(10-17-4-3-9-20-17)14-5-7-16(18)8-6-14/h3-9,13,15,19H,10-12H2,1-2H3
InChIKeyXURLJMTYVSSIHL-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine

N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine (PubChem CID 79438464) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine
PubChem CID79438464
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO/c1-13(2)11-19-12-15(10-17-4-3-9-20-17)14-5-7-16(18)8-6-14/h3-9,13,15,19H,10-12H2,1-2H3
InChIKeyXURLJMTYVSSIHL-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79437864
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
CID 103984798
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
CID 62576135
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
CID 25363046
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine (CID 79438464) is N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is XURLJMTYVSSIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-13(2)11-19-12-15(10-17-4-3-9-20-17)14-5-7-16(18)8-6-14/h3-9,13,15,19H,10-12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine?
N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79438464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).