N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine

C16H25N — CID 43773888

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
SMILESCc1ccc(C(NC(C)C(C)C)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-11(2)13(4)17-16(15-9-10-15)14-7-5-12(3)6-8-14/h5-8,11,13,15-17H,9-10H2,1-4H3
InChIKeyDVNVGIQOWVTFIO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.08
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine

N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine (PubChem CID 43773888) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
PubChem CID43773888
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
SMILESCc1ccc(C(NC(C)C(C)C)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-11(2)13(4)17-16(15-9-10-15)14-7-5-12(3)6-8-14/h5-8,11,13,15-17H,9-10H2,1-4H3
InChIKeyDVNVGIQOWVTFIO-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 64604426
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide
CID 115576043
N-[cyclopropyl-(4-methylphenyl)methyl]pent-1-yn-3-amine
CID 114160632
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720731
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine (CID 43773888) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine is Cc1ccc(C(NC(C)C(C)C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine?
The InChIKey is DVNVGIQOWVTFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)13(4)17-16(15-9-10-15)14-7-5-12(3)6-8-14/h5-8,11,13,15-17H,9-10H2,1-4H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43773888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).