1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine

C15H21NO — CID 105490106

IUPAC1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C15H21NO/c16-15(8-9-15)7-6-12-2-1-3-14(10-12)17-11-13-4-5-13/h1-3,10,13H,4-9,11,16H2
InChIKeyKWPBPVOYNBGXGJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds6

About 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine

1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine (PubChem CID 105490106) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
PubChem CID105490106
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C15H21NO/c16-15(8-9-15)7-6-12-2-1-3-14(10-12)17-11-13-4-5-13/h1-3,10,13H,4-9,11,16H2
InChIKeyKWPBPVOYNBGXGJ-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine
CID 68877599
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
CID 170001159
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
CID 84688736
N-(3-bromopropylsulfanyl)-2-[3-(cyclopropylmethoxy)phenyl]-N-methylethanamine
CID 143904373
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
1-(2-naphthalen-2-ylethyl)cyclopropan-1-amine
CID 23106122
1-(7-tert-butylsulfonylheptyl)-3-(cyclopropylmethoxy)benzene
CID 159769567

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine (CID 105490106) is 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine is NC1(CCc2cccc(OCC3CC3)c2)CC1.
What is the InChIKey of 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine?
The InChIKey is KWPBPVOYNBGXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(8-9-15)7-6-12-2-1-3-14(10-12)17-11-13-4-5-13/h1-3,10,13H,4-9,11,16H2.
What are the key properties of 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine?
1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105490106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).