N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine

C14H21N — CID 105408787

IUPACN-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1C(C)C
InChIInChI=1S/C14H21N/c1-10(2)14-8-12(5-4-11(14)3)9-15-13-6-7-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyFNIMIXKPFMJMQK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.37
Rot. Bonds4

About N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine

N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine (PubChem CID 105408787) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
PubChem CID105408787
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1C(C)C
InChIInChI=1S/C14H21N/c1-10(2)14-8-12(5-4-11(14)3)9-15-13-6-7-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyFNIMIXKPFMJMQK-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
5-[(cyclopentylamino)methyl]-2-methylphenol
CID 117221552
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 105410060
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160769

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine (CID 105408787) is N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine is Cc1ccc(CNC2CC2)cc1C(C)C.
What is the InChIKey of N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine?
The InChIKey is FNIMIXKPFMJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)14-8-12(5-4-11(14)3)9-15-13-6-7-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3.
What are the key properties of N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine?
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine has a molecular weight of 203.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 105408787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).