(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine

C16H26N2O — CID 97229499

IUPAC(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1cccc([C@H](C)NC[C@H](C)N2CCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-16(11-13)15(3)17-12-14(2)18-7-9-19-10-8-18/h4-6,11,14-15,17H,7-10,12H2,1-3H3/t14-,15-/m0/s1
InChIKeyLDPMFKWOCJSAQA-GJZGRUSLSA-N
MW262.40 g/mol
LogP2.37
Rot. Bonds5

About (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine

(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 97229499) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID97229499
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine
SMILESCc1cccc([C@H](C)NC[C@H](C)N2CCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-16(11-13)15(3)17-12-14(2)18-7-9-19-10-8-18/h4-6,11,14-15,17H,7-10,12H2,1-3H3/t14-,15-/m0/s1
InChIKeyLDPMFKWOCJSAQA-GJZGRUSLSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-(furan-2-yl)-N-[1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 112831610
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
CID 99602446
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
N'-[(1S)-1-(3-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442499
(3-methylphenyl)-(2-morpholin-4-ylethylamino)methanol
CID 143243861

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine (CID 97229499) is (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine is Cc1cccc([C@H](C)NC[C@H](C)N2CCOCC2)c1.
What is the InChIKey of (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is LDPMFKWOCJSAQA-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-4-6-16(11-13)15(3)17-12-14(2)18-7-9-19-10-8-18/h4-6,11,14-15,17H,7-10,12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine?
(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 97229499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).