N-(3-chloro-4-methylphenyl)cyclododecanamine

C19H30ClN — CID 63418759

IUPACN-(3-chloro-4-methylphenyl)cyclododecanamine
SMILESCc1ccc(NC2CCCCCCCCCCC2)cc1Cl
InChIInChI=1S/C19H30ClN/c1-16-13-14-18(15-19(16)20)21-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17,21H,2-12H2,1H3
InChIKeyPJMDPQYEMZTNEI-UHFFFAOYSA-N
MW307.91 g/mol
LogP6.73
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)cyclododecanamine

N-(3-chloro-4-methylphenyl)cyclododecanamine (PubChem CID 63418759) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)cyclododecanamine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)cyclododecanamine
PubChem CID63418759
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-(3-chloro-4-methylphenyl)cyclododecanamine
SMILESCc1ccc(NC2CCCCCCCCCCC2)cc1Cl
InChIInChI=1S/C19H30ClN/c1-16-13-14-18(15-19(16)20)21-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17,21H,2-12H2,1H3
InChIKeyPJMDPQYEMZTNEI-UHFFFAOYSA-N
XLogP6.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80692538
3-chloro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63418757
5-N-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-(3-chloro-4-propan-2-yloxyphenyl)cycloheptanamine
CID 43727113
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)cyclododecanamine?
The IUPAC name of N-(3-chloro-4-methylphenyl)cyclododecanamine (CID 63418759) is N-(3-chloro-4-methylphenyl)cyclododecanamine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)cyclododecanamine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)cyclododecanamine is Cc1ccc(NC2CCCCCCCCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)cyclododecanamine?
The InChIKey is PJMDPQYEMZTNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-16-13-14-18(15-19(16)20)21-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17,21H,2-12H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)cyclododecanamine?
N-(3-chloro-4-methylphenyl)cyclododecanamine has a molecular weight of 307.91 g/mol, XLogP of 6.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)cyclododecanamine is sourced from PubChem (CID 63418759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).