1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine

C18H21Cl2N — CID 114879199

IUPAC1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-9-21-18(4-2)14-7-5-13(6-8-14)15-10-16(19)12-17(20)11-15/h5-8,10-12,18,21H,3-4,9H2,1-2H3
InChIKeyJZRPLEHNNNSQKI-UHFFFAOYSA-N
MW322.28 g/mol
LogP6.11
Rot. Bonds6

About 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine

1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine (PubChem CID 114879199) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
PubChem CID114879199
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-9-21-18(4-2)14-7-5-13(6-8-14)15-10-16(19)12-17(20)11-15/h5-8,10-12,18,21H,3-4,9H2,1-2H3
InChIKeyJZRPLEHNNNSQKI-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424403
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
CID 103214498
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726
1-(3,5-dichlorophenyl)-N-propylbut-3-en-1-amine
CID 115815027
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424575
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424386
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine (CID 114879199) is 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is JZRPLEHNNNSQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-9-21-18(4-2)14-7-5-13(6-8-14)15-10-16(19)12-17(20)11-15/h5-8,10-12,18,21H,3-4,9H2,1-2H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 114879199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).