N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine

C17H27NO2 — CID 116765963

IUPACN-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1(OCC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-3-12-18-16(15-8-6-5-7-9-15)17(20-4-2)10-13-19-14-11-17/h5-9,16,18H,3-4,10-14H2,1-2H3
InChIKeyYZPZWIHZZDWQBY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.31
Rot. Bonds7

About N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine

N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine (PubChem CID 116765963) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
PubChem CID116765963
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1(OCC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-3-12-18-16(15-8-6-5-7-9-15)17(20-4-2)10-13-19-14-11-17/h5-9,16,18H,3-4,10-14H2,1-2H3
InChIKeyYZPZWIHZZDWQBY-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 116766028
N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056
N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine (CID 116765963) is N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)C1(OCC)CCOCC1.
What is the InChIKey of N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine?
The InChIKey is YZPZWIHZZDWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-12-18-16(15-8-6-5-7-9-15)17(20-4-2)10-13-19-14-11-17/h5-9,16,18H,3-4,10-14H2,1-2H3.
What are the key properties of N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine?
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.31, 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)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 116765963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).