N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine

C17H27NO — CID 61468819

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NC(c1ccc(OC)cc1)C1CC1)C(C)C
InChIInChI=1S/C17H27NO/c1-5-16(12(2)3)18-17(13-6-7-13)14-8-10-15(19-4)11-9-14/h8-13,16-18H,5-7H2,1-4H3
InChIKeyQXKGKTVTGRDWFA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine (PubChem CID 61468819) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
PubChem CID61468819
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NC(c1ccc(OC)cc1)C1CC1)C(C)C
InChIInChI=1S/C17H27NO/c1-5-16(12(2)3)18-17(13-6-7-13)14-8-10-15(19-4)11-9-14/h8-13,16-18H,5-7H2,1-4H3
InChIKeyQXKGKTVTGRDWFA-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 115898508
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281955
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine (CID 61468819) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine is CCC(NC(c1ccc(OC)cc1)C1CC1)C(C)C.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is QXKGKTVTGRDWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-16(12(2)3)18-17(13-6-7-13)14-8-10-15(19-4)11-9-14/h8-13,16-18H,5-7H2,1-4H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 61468819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).