N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine

C15H22ClN — CID 113319474

IUPACN-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1Cl)C1CC1
InChIInChI=1S/C15H22ClN/c1-4-7-17-15(12-5-6-12)13-8-10(2)11(3)9-14(13)16/h8-9,12,15,17H,4-7H2,1-3H3
InChIKeyJTHQYQKDARNDFU-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.41
Rot. Bonds5

About N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine

N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine (PubChem CID 113319474) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
PubChem CID113319474
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1Cl)C1CC1
InChIInChI=1S/C15H22ClN/c1-4-7-17-15(12-5-6-12)13-8-10(2)11(3)9-14(13)16/h8-9,12,15,17H,4-7H2,1-3H3
InChIKeyJTHQYQKDARNDFU-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
N-[(2-chloro-4,5-dimethylphenyl)-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 115484164
N-[(2-chloro-4,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 115484202
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[3-bicyclo[3.1.0]hexanyl-(2-chloro-4,5-dimethylphenyl)methyl]ethanamine
CID 115484050
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81474265
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177855
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine (CID 113319474) is N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine is CCCNC(c1cc(C)c(C)cc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine?
The InChIKey is JTHQYQKDARNDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-4-7-17-15(12-5-6-12)13-8-10(2)11(3)9-14(13)16/h8-9,12,15,17H,4-7H2,1-3H3.
What are the key properties of N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine?
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 113319474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).