1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine

C15H22ClN — CID 83155271

IUPAC1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(C)C1CC1
InChIInChI=1S/C15H22ClN/c1-3-10-17-15(11(2)12-4-5-12)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3
InChIKeyPMUQAHWITQZQJU-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.43
Rot. Bonds6

About 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine

1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine (PubChem CID 83155271) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
PubChem CID83155271
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(C)C1CC1
InChIInChI=1S/C15H22ClN/c1-3-10-17-15(11(2)12-4-5-12)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3
InChIKeyPMUQAHWITQZQJU-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine
CID 83155273
N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
CID 116722802
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
CID 114246234
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
2-cyclopropyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 105021677
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559
2-cyclopropyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 83154582

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine (CID 83155271) is 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine is CCCNC(c1ccc(Cl)cc1)C(C)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine?
The InChIKey is PMUQAHWITQZQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-10-17-15(11(2)12-4-5-12)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine?
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine is sourced from PubChem (CID 83155271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).