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

C16H25NO — CID 64604426

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H25NO/c1-12-4-6-14(7-5-12)16(15-8-9-15)17-13(2)10-11-18-3/h4-7,13,15-17H,8-11H2,1-3H3
InChIKeyYZOCLLFCXNGJED-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds7

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

N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine (PubChem CID 64604426) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
PubChem CID64604426
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H25NO/c1-12-4-6-14(7-5-12)16(15-8-9-15)17-13(2)10-11-18-3/h4-7,13,15-17H,8-11H2,1-3H3
InChIKeyYZOCLLFCXNGJED-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
CID 103910921
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
CID 63477442
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
N-[cyclopropyl-(4-methylphenyl)methyl]pent-1-yn-3-amine
CID 114160632

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine (CID 64604426) is N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine is COCCC(C)NC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine?
The InChIKey is YZOCLLFCXNGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-4-6-14(7-5-12)16(15-8-9-15)17-13(2)10-11-18-3/h4-7,13,15-17H,8-11H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine?
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 64604426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).