1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine

C17H27NO — CID 105051444

IUPAC1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-4-13(3)12-17(18-5-2)14-6-8-15(9-7-14)19-16-10-11-16/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyDSOQSLZTLUOHFT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds8

About 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine

1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 105051444) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
PubChem CID105051444
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-4-13(3)12-17(18-5-2)14-6-8-15(9-7-14)19-16-10-11-16/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyDSOQSLZTLUOHFT-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114519365
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114519253
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105188528
1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64745947
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114519557
N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114519196
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine (CID 105051444) is 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine is CCNC(CC(C)CC)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is DSOQSLZTLUOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13(3)12-17(18-5-2)14-6-8-15(9-7-14)19-16-10-11-16/h6-9,13,16-18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine?
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 105051444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).