3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine

C14H21N — CID 104859744

IUPAC3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(CCNC2CC(C)C2)c1
InChIInChI=1S/C14H21N/c1-11-4-3-5-13(8-11)6-7-15-14-9-12(2)10-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyKEHQQWYPSMSVKS-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds4

About 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine

3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 104859744) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID104859744
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(CCNC2CC(C)C2)c1
InChIInChI=1S/C14H21N/c1-11-4-3-5-13(8-11)6-7-15-14-9-12(2)10-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyKEHQQWYPSMSVKS-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
2-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 55062515
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758
2-[cyclopropylmethyl-[3-[2-(3-methylphenyl)ethylamino]cyclobutyl]amino]acetic acid
CID 122041350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine (CID 104859744) is 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine is Cc1cccc(CCNC2CC(C)C2)c1.
What is the InChIKey of 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is KEHQQWYPSMSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-4-3-5-13(8-11)6-7-15-14-9-12(2)10-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine?
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104859744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).