1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine

C17H26N2O — CID 114521860

IUPAC1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(N)c2cccc(OC3CC3)c2)CCCC1
InChIInChI=1S/C17H26N2O/c1-19(2)17(10-3-4-11-17)16(18)13-6-5-7-15(12-13)20-14-8-9-14/h5-7,12,14,16H,3-4,8-11,18H2,1-2H3
InChIKeyGCUWIKCOOMIKMY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.10
Rot. Bonds5

About 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine

1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 114521860) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID114521860
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(N)c2cccc(OC3CC3)c2)CCCC1
InChIInChI=1S/C17H26N2O/c1-19(2)17(10-3-4-11-17)16(18)13-6-5-7-15(12-13)20-14-8-9-14/h5-7,12,14,16H,3-4,8-11,18H2,1-2H3
InChIKeyGCUWIKCOOMIKMY-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol
CID 114521465
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine (CID 114521860) is 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(C(N)c2cccc(OC3CC3)c2)CCCC1.
What is the InChIKey of 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is GCUWIKCOOMIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(2)17(10-3-4-11-17)16(18)13-6-5-7-15(12-13)20-14-8-9-14/h5-7,12,14,16H,3-4,8-11,18H2,1-2H3.
What are the key properties of 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114521860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).