N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine

C15H25NO — CID 82941407

IUPACN-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-4-11-17-12-7-10-16-14(3)15-9-6-5-8-13(15)2/h5-6,8-9,14,16H,4,7,10-12H2,1-3H3
InChIKeyLCDKCUGUKNLQDV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds8

About N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine

N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine (PubChem CID 82941407) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
PubChem CID82941407
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNC(C)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-4-11-17-12-7-10-16-14(3)15-9-6-5-8-13(15)2/h5-6,8-9,14,16H,4,7,10-12H2,1-3H3
InChIKeyLCDKCUGUKNLQDV-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
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-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 43207304
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine (CID 82941407) is N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine is CCCOCCCNC(C)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine?
The InChIKey is LCDKCUGUKNLQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-11-17-12-7-10-16-14(3)15-9-6-5-8-13(15)2/h5-6,8-9,14,16H,4,7,10-12H2,1-3H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine?
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82941407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).