4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline

C16H20N2 — CID 174101748

IUPAC4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
SMILESCNc1ccc(Cc2ccc([C@@H](C)N)cc2)cc1
InChIInChI=1S/C16H20N2/c1-12(17)15-7-3-13(4-8-15)11-14-5-9-16(18-2)10-6-14/h3-10,12,18H,11,17H2,1-2H3/t12-/m1/s1
InChIKeyOZKNESLVJDGLSM-GFCCVEGCSA-N
MW240.35 g/mol
LogP3.34
Rot. Bonds4

About 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline

4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline (PubChem CID 174101748) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
PubChem CID174101748
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
SMILESCNc1ccc(Cc2ccc([C@@H](C)N)cc2)cc1
InChIInChI=1S/C16H20N2/c1-12(17)15-7-3-13(4-8-15)11-14-5-9-16(18-2)10-6-14/h3-10,12,18H,11,17H2,1-2H3/t12-/m1/s1
InChIKeyOZKNESLVJDGLSM-GFCCVEGCSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-N-methylaniline
CID 130673691
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
1-(4-benzylphenyl)ethanamine
CID 3962419
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(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
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline?
The IUPAC name of 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline (CID 174101748) is 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline.
What is the SMILES notation for 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline?
The canonical SMILES for 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline is CNc1ccc(Cc2ccc([C@@H](C)N)cc2)cc1.
What is the InChIKey of 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline?
The InChIKey is OZKNESLVJDGLSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(17)15-7-3-13(4-8-15)11-14-5-9-16(18-2)10-6-14/h3-10,12,18H,11,17H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline?
4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline is sourced from PubChem (CID 174101748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).