(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine

C20H28ClNO — CID 7632387

IUPAC(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine
SMILESCC(C)CC[C@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H28ClNO/c1-15(2)6-7-18(20-5-4-14-23-20)12-13-22-16(3)17-8-10-19(21)11-9-17/h4-5,8-11,14-16,18,22H,6-7,12-13H2,1-3H3/t16-,18-/m1/s1
InChIKeyNNSCSQWLZUNLPB-SJLPKXTDSA-N
MW333.90 g/mol
LogP6.19
Rot. Bonds9

About (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine

(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine (PubChem CID 7632387) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine
PubChem CID7632387
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine
SMILESCC(C)CC[C@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H28ClNO/c1-15(2)6-7-18(20-5-4-14-23-20)12-13-22-16(3)17-8-10-19(21)11-9-17/h4-5,8-11,14-16,18,22H,6-7,12-13H2,1-3H3/t16-,18-/m1/s1
InChIKeyNNSCSQWLZUNLPB-SJLPKXTDSA-N
XLogP6.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.90
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714603
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(furan-2-yl)ethanamine
CID 115707739
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine?
The IUPAC name of (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine (CID 7632387) is (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine.
What is the SMILES notation for (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine?
The canonical SMILES for (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine is CC(C)CC[C@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine?
The InChIKey is NNSCSQWLZUNLPB-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H28ClNO/c1-15(2)6-7-18(20-5-4-14-23-20)12-13-22-16(3)17-8-10-19(21)11-9-17/h4-5,8-11,14-16,18,22H,6-7,12-13H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine?
(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine has a molecular weight of 333.90 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine is sourced from PubChem (CID 7632387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).