1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine

C14H19NO — CID 117309842

IUPAC1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(CC2(N)CC2)ccc1C1CC1
InChIInChI=1S/C14H19NO/c1-16-13-8-10(9-14(15)6-7-14)2-5-12(13)11-3-4-11/h2,5,8,11H,3-4,6-7,9,15H2,1H3
InChIKeyGTKUKWYRDQYUJO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.61
Rot. Bonds4

About 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine

1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117309842) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117309842
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(CC2(N)CC2)ccc1C1CC1
InChIInChI=1S/C14H19NO/c1-16-13-8-10(9-14(15)6-7-14)2-5-12(13)11-3-4-11/h2,5,8,11H,3-4,6-7,9,15H2,1H3
InChIKeyGTKUKWYRDQYUJO-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117293738
1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
CID 118252120
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64595828
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
CID 105497358
N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide
CID 125472773
4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 82122007

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine (CID 117309842) is 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine is COc1cc(CC2(N)CC2)ccc1C1CC1.
What is the InChIKey of 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is GTKUKWYRDQYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-13-8-10(9-14(15)6-7-14)2-5-12(13)11-3-4-11/h2,5,8,11H,3-4,6-7,9,15H2,1H3.
What are the key properties of 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine?
1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117309842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).