N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

C19H29NO — CID 107191369

IUPACN-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)C1CCCC1(C)C
InChIInChI=1S/C19H29NO/c1-4-20-18(17-9-6-12-19(17,2)3)14-7-5-8-16(13-14)21-15-10-11-15/h5,7-8,13,15,17-18,20H,4,6,9-12H2,1-3H3
InChIKeyLQZYHYGBUHAKFH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds6

About N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (PubChem CID 107191369) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
PubChem CID107191369
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)C1CCCC1(C)C
InChIInChI=1S/C19H29NO/c1-4-20-18(17-9-6-12-19(17,2)3)14-7-5-8-16(13-14)21-15-10-11-15/h5,7-8,13,15,17-18,20H,4,6,9-12H2,1-3H3
InChIKeyLQZYHYGBUHAKFH-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (CID 107191369) is N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is CCNC(c1cccc(OC2CC2)c1)C1CCCC1(C)C.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The InChIKey is LQZYHYGBUHAKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-18(17-9-6-12-19(17,2)3)14-7-5-8-16(13-14)21-15-10-11-15/h5,7-8,13,15,17-18,20H,4,6,9-12H2,1-3H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107191369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).