N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine

C18H21N — CID 43632228

IUPACN-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
SMILESCc1cccc(CNC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C18H21N/c1-14-6-5-7-15(10-14)13-19-18-11-17(12-18)16-8-3-2-4-9-16/h2-10,17-19H,11-13H2,1H3
InChIKeyMFSFVOYEBDVOJU-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.03
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine

N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine (PubChem CID 43632228) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
PubChem CID43632228
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
SMILESCc1cccc(CNC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C18H21N/c1-14-6-5-7-15(10-14)13-19-18-11-17(12-18)16-8-3-2-4-9-16/h2-10,17-19H,11-13H2,1H3
InChIKeyMFSFVOYEBDVOJU-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560905
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104528153
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine (CID 43632228) is N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine is Cc1cccc(CNC2CC(c3ccccc3)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine?
The InChIKey is MFSFVOYEBDVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-6-5-7-15(10-14)13-19-18-11-17(12-18)16-8-3-2-4-9-16/h2-10,17-19H,11-13H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine?
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 43632228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).