N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine

C17H25NO — CID 103082854

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NC(c2ccc(C)cc2)C2CC2)C1
InChIInChI=1S/C17H25NO/c1-12-3-5-13(6-4-12)17(14-7-8-14)18-15-9-10-16(11-15)19-2/h3-6,14-18H,7-11H2,1-2H3
InChIKeyKRVDKROSGJWIJM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.60
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine

N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine (PubChem CID 103082854) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine
PubChem CID103082854
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NC(c2ccc(C)cc2)C2CC2)C1
InChIInChI=1S/C17H25NO/c1-12-3-5-13(6-4-12)17(14-7-8-14)18-15-9-10-16(11-15)19-2/h3-6,14-18H,7-11H2,1-2H3
InChIKeyKRVDKROSGJWIJM-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-3-methoxycyclopentan-1-amine
CID 103082890
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
CID 64500445
N-[1-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720731
N-[cyclopropyl-(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715476
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
CID 103082789
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
CID 43787162

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine (CID 103082854) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine is COC1CCC(NC(c2ccc(C)cc2)C2CC2)C1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine?
The InChIKey is KRVDKROSGJWIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-3-5-13(6-4-12)17(14-7-8-14)18-15-9-10-16(11-15)19-2/h3-6,14-18H,7-11H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methoxycyclopentan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.60, 5 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]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103082854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).