N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C16H24ClN — CID 79358685

IUPACN-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCCC(NC1C(C)(C)C1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-6-13(11-8-7-9-12(17)10-11)18-14-15(2,3)16(14,4)5/h7-10,13-14,18H,6H2,1-5H3
InChIKeyDHGAMKSSOJECHN-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.82
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79358685) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79358685
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCCC(NC1C(C)(C)C1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-6-13(11-8-7-9-12(17)10-11)18-14-15(2,3)16(14,4)5/h7-10,13-14,18H,6H2,1-5H3
InChIKeyDHGAMKSSOJECHN-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79352671
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-chlorophenyl)propyl]pent-1-yn-3-amine
CID 106224494
N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863686

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79358685) is N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CCC(NC1C(C)(C)C1(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is DHGAMKSSOJECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-6-13(11-8-7-9-12(17)10-11)18-14-15(2,3)16(14,4)5/h7-10,13-14,18H,6H2,1-5H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79358685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).