N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine

C18H29NO2 — CID 116766028

IUPACN-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)C1(OCC)CCOCC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-17(16-8-6-7-15(3)14-16)18(21-5-2)9-12-20-13-10-18/h6-8,14,17,19H,4-5,9-13H2,1-3H3
InChIKeyWOOONWJXJMWSAC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.62
Rot. Bonds7

About N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine

N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine (PubChem CID 116766028) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
PubChem CID116766028
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)C1(OCC)CCOCC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-17(16-8-6-7-15(3)14-16)18(21-5-2)9-12-20-13-10-18/h6-8,14,17,19H,4-5,9-13H2,1-3H3
InChIKeyWOOONWJXJMWSAC-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233
N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762398
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine (CID 116766028) is N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1)C1(OCC)CCOCC1.
What is the InChIKey of N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is WOOONWJXJMWSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-11-19-17(16-8-6-7-15(3)14-16)18(21-5-2)9-12-20-13-10-18/h6-8,14,17,19H,4-5,9-13H2,1-3H3.
What are the key properties of N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine?
N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 116766028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).