(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine

C14H23NO — CID 106452285

IUPAC(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
SMILESCCCOCCN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-9-16-10-8-15-13(3)14-7-5-6-12(2)11-14/h5-7,11,13,15H,4,8-10H2,1-3H3/t13-/m1/s1
InChIKeyJQIVHNGLOOAXSL-CYBMUJFWSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds7

About (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine

(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine (PubChem CID 106452285) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
PubChem CID106452285
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
SMILESCCCOCCN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-9-16-10-8-15-13(3)14-7-5-6-12(2)11-14/h5-7,11,13,15H,4,8-10H2,1-3H3/t13-/m1/s1
InChIKeyJQIVHNGLOOAXSL-CYBMUJFWSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
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

(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
(1S)-N-[2-(3-methylbutoxy)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360285
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
N-[(1R)-1-(3-methylphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81361125
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
1-(4-bromophenyl)-N-(2-propoxyethyl)ethanamine
CID 106451818
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81360352
N-[(1R)-1-(3-methylphenyl)ethyl]but-3-en-1-amine
CID 81361218

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine (CID 106452285) is (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine is CCCOCCN[C@H](C)c1cccc(C)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine?
The InChIKey is JQIVHNGLOOAXSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-9-16-10-8-15-13(3)14-7-5-6-12(2)11-14/h5-7,11,13,15H,4,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine?
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine is sourced from PubChem (CID 106452285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).