4-[(1S)-1-aminoethyl]-N-methylaniline

C9H14N2 — CID 130673691

IUPAC4-[(1S)-1-aminoethyl]-N-methylaniline
SMILESCNc1ccc([C@H](C)N)cc1
InChIInChI=1S/C9H14N2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,11H,10H2,1-2H3/t7-/m0/s1
InChIKeyMZHLTTHBRCRQOK-ZETCQYMHSA-N
MW150.22 g/mol
LogP1.75
Rot. Bonds2

About 4-[(1S)-1-aminoethyl]-N-methylaniline

4-[(1S)-1-aminoethyl]-N-methylaniline (PubChem CID 130673691) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-N-methylaniline
PubChem CID130673691
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-[(1S)-1-aminoethyl]-N-methylaniline
SMILESCNc1ccc([C@H](C)N)cc1
InChIInChI=1S/C9H14N2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,11H,10H2,1-2H3/t7-/m0/s1
InChIKeyMZHLTTHBRCRQOK-ZETCQYMHSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
CID 174101748
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
CID 130625593
4-butan-2-yl-N-methylaniline
CID 22675641
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
1-[4-(methylamino)phenyl]butane-1,4-diamine
CID 66819791
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
CID 130649436
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol
CID 130062263
4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline
CID 134316618

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-N-methylaniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-N-methylaniline (CID 130673691) is 4-[(1S)-1-aminoethyl]-N-methylaniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-N-methylaniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-N-methylaniline is CNc1ccc([C@H](C)N)cc1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-N-methylaniline?
The InChIKey is MZHLTTHBRCRQOK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,11H,10H2,1-2H3/t7-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-N-methylaniline?
4-[(1S)-1-aminoethyl]-N-methylaniline has a molecular weight of 150.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-N-methylaniline is sourced from PubChem (CID 130673691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).