N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

C19H29NO — CID 107191360

IUPACN-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CCCC1(C)C
InChIInChI=1S/C19H29NO/c1-4-20-18(17-6-5-13-19(17,2)3)14-7-9-15(10-8-14)21-16-11-12-16/h7-10,16-18,20H,4-6,11-13H2,1-3H3
InChIKeySFAUTVFMLQYGRG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds6

About N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (PubChem CID 107191360) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
PubChem CID107191360
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CCCC1(C)C
InChIInChI=1S/C19H29NO/c1-4-20-18(17-6-5-13-19(17,2)3)14-7-9-15(10-8-14)21-16-11-12-16/h7-10,16-18,20H,4-6,11-13H2,1-3H3
InChIKeySFAUTVFMLQYGRG-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

N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (CID 107191360) is N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is CCNC(c1ccc(OC2CC2)cc1)C1CCCC1(C)C.
What is the InChIKey of N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The InChIKey is SFAUTVFMLQYGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-18(17-6-5-13-19(17,2)3)14-7-9-15(10-8-14)21-16-11-12-16/h7-10,16-18,20H,4-6,11-13H2,1-3H3.
What are the key properties of N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
N-[(4-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-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107191360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).