2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine

C14H21N — CID 103700096

IUPAC2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C2CC2)cc1
InChIInChI=1S/C14H21N/c1-11-4-6-12(7-5-11)10-15-14(2,3)13-8-9-13/h4-7,13,15H,8-10H2,1-3H3
InChIKeyBSLGKJHJVLVYCD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.27
Rot. Bonds4

About 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine

2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine (PubChem CID 103700096) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
PubChem CID103700096
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C2CC2)cc1
InChIInChI=1S/C14H21N/c1-11-4-6-12(7-5-11)10-15-14(2,3)13-8-9-13/h4-7,13,15H,8-10H2,1-3H3
InChIKeyBSLGKJHJVLVYCD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 103700185
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 103700181
2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol
CID 103700268
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269
N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103773729
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 103700221
2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 103700179
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
CID 28702607
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine (CID 103700096) is 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine is Cc1ccc(CNC(C)(C)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine?
The InChIKey is BSLGKJHJVLVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-4-6-12(7-5-11)10-15-14(2,3)13-8-9-13/h4-7,13,15H,8-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine?
2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 103700096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).