N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine

C15H24ClNO2 — CID 81378294

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
SMILESCCOC(CCN[C@@H](C)c1ccccc1Cl)OCC
InChIInChI=1S/C15H24ClNO2/c1-4-18-15(19-5-2)10-11-17-12(3)13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyITVHJYAOPMWCSA-LBPRGKRZSA-N
MW285.82 g/mol
LogP3.78
Rot. Bonds9

About N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine

N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine (PubChem CID 81378294) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
PubChem CID81378294
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
SMILESCCOC(CCN[C@@H](C)c1ccccc1Cl)OCC
InChIInChI=1S/C15H24ClNO2/c1-4-18-15(19-5-2)10-11-17-12(3)13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyITVHJYAOPMWCSA-LBPRGKRZSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 81379566
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
3,3-diethoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81407847
3,3-diethoxy-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365209
3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81094494
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81379336
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666747

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine (CID 81378294) is N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine is CCOC(CCN[C@@H](C)c1ccccc1Cl)OCC.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine?
The InChIKey is ITVHJYAOPMWCSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-18-15(19-5-2)10-11-17-12(3)13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine has a molecular weight of 285.82 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 81378294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).