N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine

C18H29NO — CID 106200712

IUPACN-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC1CC1)c1ccc(CC)cc1
InChIInChI=1S/C18H29NO/c1-3-12-19-18(14-20-13-11-16-5-6-16)17-9-7-15(4-2)8-10-17/h7-10,16,18-19H,3-6,11-14H2,1-2H3
InChIKeyBLLXNDWWKWMGNM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.11
Rot. Bonds10

About N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine

N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine (PubChem CID 106200712) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
PubChem CID106200712
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC1CC1)c1ccc(CC)cc1
InChIInChI=1S/C18H29NO/c1-3-12-19-18(14-20-13-11-16-5-6-16)17-9-7-15(4-2)8-10-17/h7-10,16,18-19H,3-6,11-14H2,1-2H3
InChIKeyBLLXNDWWKWMGNM-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984
2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200742
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 106200526
2-(2-cyclopropylethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
CID 106200656
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63474903
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 66324313
3-(2-cyclopropylethoxy)-2-(propylamino)propan-1-ol
CID 106206742
2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)propan-1-ol
CID 106203961
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine (CID 106200712) is N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine is CCCNC(COCCC1CC1)c1ccc(CC)cc1.
What is the InChIKey of N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine?
The InChIKey is BLLXNDWWKWMGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-12-19-18(14-20-13-11-16-5-6-16)17-9-7-15(4-2)8-10-17/h7-10,16,18-19H,3-6,11-14H2,1-2H3.
What are the key properties of N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine?
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106200712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).