N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine

C19H24ClN — CID 43080987

IUPACN-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESCC(NCc1ccc(C(C)(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-14(17-7-5-6-8-18(17)20)21-13-15-9-11-16(12-10-15)19(2,3)4/h5-12,14,21H,13H2,1-4H3
InChIKeyWMFBOCFJFKBQRG-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.49
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine

N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine (PubChem CID 43080987) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
PubChem CID43080987
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESCC(NCc1ccc(C(C)(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-14(17-7-5-6-8-18(17)20)21-13-15-9-11-16(12-10-15)19(2,3)4/h5-12,14,21H,13H2,1-4H3
InChIKeyWMFBOCFJFKBQRG-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81378308
(1R)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81377994
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
2-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81379340
2-chloro-N-[1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 60694536
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine (CID 43080987) is N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine is CC(NCc1ccc(C(C)(C)C)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
The InChIKey is WMFBOCFJFKBQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-14(17-7-5-6-8-18(17)20)21-13-15-9-11-16(12-10-15)19(2,3)4/h5-12,14,21H,13H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine?
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 43080987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).