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

C17H22ClNO — CID 43093621

IUPACN-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
SMILESCCC(NC(C)CCc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO/c1-3-17(14-6-4-7-15(18)12-14)19-13(2)9-10-16-8-5-11-20-16/h4-8,11-13,17,19H,3,9-10H2,1-2H3
InChIKeySSUSFCMBULEHAI-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.99
Rot. Bonds7

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

N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43093621) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43093621
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
SMILESCCC(NC(C)CCc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO/c1-3-17(14-6-4-7-15(18)12-14)19-13(2)9-10-16-8-5-11-20-16/h4-8,11-13,17,19H,3,9-10H2,1-2H3
InChIKeySSUSFCMBULEHAI-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43769812
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine (CID 43093621) is N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine is CCC(NC(C)CCc1ccco1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is SSUSFCMBULEHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-3-17(14-6-4-7-15(18)12-14)19-13(2)9-10-16-8-5-11-20-16/h4-8,11-13,17,19H,3,9-10H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 291.82 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43093621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).