5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine

C17H29NO2 — CID 103779924

IUPAC5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
SMILESCCCOc1ccc(C(C)NCCCCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-4-13-20-17-10-8-16(9-11-17)15(2)18-12-6-5-7-14-19-3/h8-11,15,18H,4-7,12-14H2,1-3H3
InChIKeyVNZHWENXPVOEAC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine

5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine (PubChem CID 103779924) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
PubChem CID103779924
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
SMILESCCCOc1ccc(C(C)NCCCCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-4-13-20-17-10-8-16(9-11-17)15(2)18-12-6-5-7-14-19-3/h8-11,15,18H,4-7,12-14H2,1-3H3
InChIKeyVNZHWENXPVOEAC-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-[1-(4-octoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804616
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839
2-[4-[1-(octylamino)ethyl]phenoxy]acetonitrile
CID 115566869
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine?
The IUPAC name of 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine (CID 103779924) is 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine?
The canonical SMILES for 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine is CCCOc1ccc(C(C)NCCCCCOC)cc1.
What is the InChIKey of 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine?
The InChIKey is VNZHWENXPVOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-13-20-17-10-8-16(9-11-17)15(2)18-12-6-5-7-14-19-3/h8-11,15,18H,4-7,12-14H2,1-3H3.
What are the key properties of 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine?
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine is sourced from PubChem (CID 103779924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).