1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine

C17H27NO — CID 105051932

IUPAC1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(c1cccc(OC2CC2)c1)C(C)C(C)C
InChIInChI=1S/C17H27NO/c1-5-18-17(13(4)12(2)3)14-7-6-8-16(11-14)19-15-9-10-15/h6-8,11-13,15,17-18H,5,9-10H2,1-4H3
InChIKeyHMHDBWXLFIROLW-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds7

About 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine

1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 105051932) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID105051932
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(c1cccc(OC2CC2)c1)C(C)C(C)C
InChIInChI=1S/C17H27NO/c1-5-18-17(13(4)12(2)3)14-7-6-8-16(11-14)19-15-9-10-15/h6-8,11-13,15,17-18H,5,9-10H2,1-4H3
InChIKeyHMHDBWXLFIROLW-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105188541

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 105051932) is 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNC(c1cccc(OC2CC2)c1)C(C)C(C)C.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is HMHDBWXLFIROLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-17(13(4)12(2)3)14-7-6-8-16(11-14)19-15-9-10-15/h6-8,11-13,15,17-18H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 105051932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).