1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine

C14H21NO — CID 63990355

IUPAC1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccccc1CNC(C)CC1CC1
InChIInChI=1S/C14H21NO/c1-11(9-12-7-8-12)15-10-13-5-3-4-6-14(13)16-2/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyUHEZTSHTNIAEFP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.97
Rot. Bonds6

About 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine

1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine (PubChem CID 63990355) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
PubChem CID63990355
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccccc1CNC(C)CC1CC1
InChIInChI=1S/C14H21NO/c1-11(9-12-7-8-12)15-10-13-5-3-4-6-14(13)16-2/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyUHEZTSHTNIAEFP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103775898
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963960
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine (CID 63990355) is 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine is COc1ccccc1CNC(C)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is UHEZTSHTNIAEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(9-12-7-8-12)15-10-13-5-3-4-6-14(13)16-2/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine?
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63990355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).