N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C19H22ClN — CID 43147440

IUPACN-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H22ClN/c1-19(2)12-11-18(16-5-3-4-6-17(16)19)21-13-14-7-9-15(20)10-8-14/h3-10,18,21H,11-13H2,1-2H3
InChIKeyUQOZDPRHHFLKHL-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.24
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 43147440) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID43147440
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H22ClN/c1-19(2)12-11-18(16-5-3-4-6-17(16)19)21-13-14-7-9-15(20)10-8-14/h3-10,18,21H,11-13H2,1-2H3
InChIKeyUQOZDPRHHFLKHL-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 115615295
4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
CID 61015244
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63378715
4,4-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
CID 61003419
N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 102695797
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204
4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
CID 116642933
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43147385
N-(3,4-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147349

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 43147440) is N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(NCc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is UQOZDPRHHFLKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-19(2)12-11-18(16-5-3-4-6-17(16)19)21-13-14-7-9-15(20)10-8-14/h3-10,18,21H,11-13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 299.85 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 43147440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).