N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine

C15H21Cl2N — CID 63511575

IUPACN-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C15H21Cl2N/c1-2-9-18-11-15(7-3-4-8-15)12-5-6-13(16)14(17)10-12/h5-6,10,18H,2-4,7-9,11H2,1H3
InChIKeyVOVCJDVQRZFHLZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.80
Rot. Bonds5

About N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine

N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 63511575) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
PubChem CID63511575
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C15H21Cl2N/c1-2-9-18-11-15(7-3-4-8-15)12-5-6-13(16)14(17)10-12/h5-6,10,18H,2-4,7-9,11H2,1H3
InChIKeyVOVCJDVQRZFHLZ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine
CID 146383246
2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
CID 13279949
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]propan-1-amine
CID 62596277
N-[[1-(2,4-dichlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 63517640
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62594975
N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62594601
[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium
CID 144796627
trans-(1S,3R)-3-(3,4-dichlorophenyl)-1-methyl-3-(methylaminomethyl)cyclohexan-1-ol
CID 122473356
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylpentan-1-amine
CID 123183456
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine (CID 63511575) is N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1(c2ccc(Cl)c(Cl)c2)CCCC1.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is VOVCJDVQRZFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-9-18-11-15(7-3-4-8-15)12-5-6-13(16)14(17)10-12/h5-6,10,18H,2-4,7-9,11H2,1H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine?
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 63511575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).