4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline

C19H19ClN2 — CID 46187257

IUPAC4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline
SMILESCNc1ccc(Cl)cc1[C@H](NC)c1cccc2ccccc12
InChIInChI=1S/C19H19ClN2/c1-21-18-11-10-14(20)12-17(18)19(22-2)16-9-5-7-13-6-3-4-8-15(13)16/h3-12,19,21-22H,1-2H3/t19-/m1/s1
InChIKeyCTXOEMMQJRZQHP-LJQANCHMSA-N
MW310.83 g/mol
LogP4.84
Rot. Bonds4

About 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline

4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline (PubChem CID 46187257) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline
PubChem CID46187257
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline
SMILESCNc1ccc(Cl)cc1[C@H](NC)c1cccc2ccccc12
InChIInChI=1S/C19H19ClN2/c1-21-18-11-10-14(20)12-17(18)19(22-2)16-9-5-7-13-6-3-4-8-15(13)16/h3-12,19,21-22H,1-2H3/t19-/m1/s1
InChIKeyCTXOEMMQJRZQHP-LJQANCHMSA-N
XLogP4.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline
CID 155598981
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
CID 107632024
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
CID 867520
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(3-chloro-2-pyridinyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 103444331
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
4-[methylamino(naphthalen-1-yl)methyl]aniline
CID 116952076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline (CID 46187257) is 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline is CNc1ccc(Cl)cc1[C@H](NC)c1cccc2ccccc12.
What is the InChIKey of 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline?
The InChIKey is CTXOEMMQJRZQHP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-21-18-11-10-14(20)12-17(18)19(22-2)16-9-5-7-13-6-3-4-8-15(13)16/h3-12,19,21-22H,1-2H3/t19-/m1/s1.
What are the key properties of 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline?
4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline has a molecular weight of 310.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline is sourced from PubChem (CID 46187257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).