N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine

C17H29NO — CID 116544166

IUPACN-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC)c1cccc(CCC)c1
InChIInChI=1S/C17H29NO/c1-4-8-15-9-7-10-16(13-15)17(18-11-5-2)14-19-12-6-3/h7,9-10,13,17-18H,4-6,8,11-12,14H2,1-3H3
InChIKeyLFTQZTRNWLKUNP-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.11
Rot. Bonds10

About N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine

N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine (PubChem CID 116544166) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
PubChem CID116544166
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC)c1cccc(CCC)c1
InChIInChI=1S/C17H29NO/c1-4-8-15-9-7-10-16(13-15)17(18-11-5-2)14-19-12-6-3/h7,9-10,13,17-18H,4-6,8,11-12,14H2,1-3H3
InChIKeyLFTQZTRNWLKUNP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
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

N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165472
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822

Frequently Asked Questions

What is the IUPAC name of N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine (CID 116544166) is N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine is CCCNC(COCCC)c1cccc(CCC)c1.
What is the InChIKey of N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine?
The InChIKey is LFTQZTRNWLKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-8-15-9-7-10-16(13-15)17(18-11-5-2)14-19-12-6-3/h7,9-10,13,17-18H,4-6,8,11-12,14H2,1-3H3.
What are the key properties of N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine?
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine has a molecular weight of 263.42 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-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116544166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).