N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline

C19H24ClNO — CID 134880054

IUPACN-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
SMILESCCCC[C@H](Cc1ccccc1Cl)Nc1ccc(OC)cc1
InChIInChI=1S/C19H24ClNO/c1-3-4-8-17(14-15-7-5-6-9-19(15)20)21-16-10-12-18(22-2)13-11-16/h5-7,9-13,17,21H,3-4,8,14H2,1-2H3/t17-/m1/s1
InChIKeyDSEGSJJPUMDOOC-QGZVFWFLSA-N
MW317.86 g/mol
LogP5.56
Rot. Bonds8

About N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline

N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline (PubChem CID 134880054) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
PubChem CID134880054
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
SMILESCCCC[C@H](Cc1ccccc1Cl)Nc1ccc(OC)cc1
InChIInChI=1S/C19H24ClNO/c1-3-4-8-17(14-15-7-5-6-9-19(15)20)21-16-10-12-18(22-2)13-11-16/h5-7,9-13,17,21H,3-4,8,14H2,1-2H3/t17-/m1/s1
InChIKeyDSEGSJJPUMDOOC-QGZVFWFLSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.86
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline
CID 10989831
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
1-chloro-2-(2-chlorohexyl)benzene
CID 63519497
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
4-butoxy-N-[(2-chlorophenyl)methyl]aniline
CID 54798799

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline?
The IUPAC name of N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline (CID 134880054) is N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline.
What is the SMILES notation for N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline?
The canonical SMILES for N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline is CCCC[C@H](Cc1ccccc1Cl)Nc1ccc(OC)cc1.
What is the InChIKey of N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline?
The InChIKey is DSEGSJJPUMDOOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-3-4-8-17(14-15-7-5-6-9-19(15)20)21-16-10-12-18(22-2)13-11-16/h5-7,9-13,17,21H,3-4,8,14H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline?
N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline has a molecular weight of 317.86 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline is sourced from PubChem (CID 134880054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).