N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine

C16H25N — CID 62551613

IUPACN-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
SMILESCc1ccc(CCNC2CCCCC2)cc1C
InChIInChI=1S/C16H25N/c1-13-8-9-15(12-14(13)2)10-11-17-16-6-4-3-5-7-16/h8-9,12,16-17H,3-7,10-11H2,1-2H3
InChIKeyRGWCYMQJNFVDKU-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine

N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine (PubChem CID 62551613) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
PubChem CID62551613
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
SMILESCc1ccc(CCNC2CCCCC2)cc1C
InChIInChI=1S/C16H25N/c1-13-8-9-15(12-14(13)2)10-11-17-16-6-4-3-5-7-16/h8-9,12,16-17H,3-7,10-11H2,1-2H3
InChIKeyRGWCYMQJNFVDKU-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
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CID 61238875
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
3-[2-(cyclohexylamino)ethyl]aniline
CID 65350125
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(3-aminophenyl)ethyl]cyclododecanamine
CID 82257295
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
CID 116559120
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine
CID 82500700

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine (CID 62551613) is N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine is Cc1ccc(CCNC2CCCCC2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine?
The InChIKey is RGWCYMQJNFVDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-8-9-15(12-14(13)2)10-11-17-16-6-4-3-5-7-16/h8-9,12,16-17H,3-7,10-11H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine?
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine has a molecular weight of 231.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine is sourced from PubChem (CID 62551613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).