N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine

C17H22ClNO — CID 43677543

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C17H22ClNO/c1-13(9-10-16-7-5-11-20-16)19-14(2)12-15-6-3-4-8-17(15)18/h3-8,11,13-14,19H,9-10,12H2,1-2H3
InChIKeyKZTJIORMJGIKQG-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.47
Rot. Bonds7

About N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine

N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43677543) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine
PubChem CID43677543
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C17H22ClNO/c1-13(9-10-16-7-5-11-20-16)19-14(2)12-15-6-3-4-8-17(15)18/h3-8,11,13-14,19H,9-10,12H2,1-2H3
InChIKeyKZTJIORMJGIKQG-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
CID 115725476
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43769812
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
CID 104926136
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine (CID 43677543) is N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NC(C)Cc1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is KZTJIORMJGIKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-13(9-10-16-7-5-11-20-16)19-14(2)12-15-6-3-4-8-17(15)18/h3-8,11,13-14,19H,9-10,12H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine?
N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 291.82 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43677543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).