1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

C18H27NO — CID 105051822

IUPAC1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cccc(OC3CC3)c2)CCCC1
InChIInChI=1S/C18H27NO/c1-3-18(11-4-5-12-18)17(19-2)14-7-6-8-16(13-14)20-15-9-10-15/h6-8,13,15,17,19H,3-5,9-12H2,1-2H3
InChIKeyDHVTYMMKLMQYQQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.46
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 105051822) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
PubChem CID105051822
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cccc(OC3CC3)c2)CCCC1
InChIInChI=1S/C18H27NO/c1-3-18(11-4-5-12-18)17(19-2)14-7-6-8-16(13-14)20-15-9-10-15/h6-8,13,15,17,19H,3-5,9-12H2,1-2H3
InChIKeyDHVTYMMKLMQYQQ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050783
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105022410
1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377
1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114521860
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648
(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
CID 105051512
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114522243
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (CID 105051822) is 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is CCC1(C(NC)c2cccc(OC3CC3)c2)CCCC1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is DHVTYMMKLMQYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-18(11-4-5-12-18)17(19-2)14-7-6-8-16(13-14)20-15-9-10-15/h6-8,13,15,17,19H,3-5,9-12H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 105051822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).