1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C17H26ClN — CID 79352671

IUPAC1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCC(NCC1C(C)(C)C1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-6-14(12-8-7-9-13(18)10-12)19-11-15-16(2,3)17(15,4)5/h7-10,14-15,19H,6,11H2,1-5H3
InChIKeySLUXUAJSLPEXIS-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.06
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 79352671) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID79352671
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCC(NCC1C(C)(C)C1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-6-14(12-8-7-9-13(18)10-12)19-11-15-16(2,3)17(15,4)5/h7-10,14-15,19H,6,11H2,1-5H3
InChIKeySLUXUAJSLPEXIS-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361
1-[[1-(3-chlorophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115735
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43195864
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 79352671) is 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CCC(NCC1C(C)(C)C1(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is SLUXUAJSLPEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-6-14(12-8-7-9-13(18)10-12)19-11-15-16(2,3)17(15,4)5/h7-10,14-15,19H,6,11H2,1-5H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 79352671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).