4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline

C14H23ClN2O2 — CID 55189591

IUPAC4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-11(16)12-4-5-14(13(15)10-12)17(6-8-18-2)7-9-19-3/h4-5,10-11H,6-9,16H2,1-3H3/t11-/m0/s1
InChIKeyAUMCRDCZBRTGPL-NSHDSACASA-N
MW286.80 g/mol
LogP2.46
Rot. Bonds8

About 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline

4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline (PubChem CID 55189591) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
PubChem CID55189591
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-11(16)12-4-5-14(13(15)10-12)17(6-8-18-2)7-9-19-3/h4-5,10-11H,6-9,16H2,1-3H3/t11-/m0/s1
InChIKeyAUMCRDCZBRTGPL-NSHDSACASA-N
XLogP2.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072
4-(1-aminoethyl)-N,N-dibutyl-2-chloroaniline
CID 63532066
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480561
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline (CID 55189591) is 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1ccc([C@H](C)N)cc1Cl.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is AUMCRDCZBRTGPL-NSHDSACASA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-11(16)12-4-5-14(13(15)10-12)17(6-8-18-2)7-9-19-3/h4-5,10-11H,6-9,16H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline?
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 286.80 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 55189591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).