1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine

C16H20ClN — CID 79597096

IUPAC1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(Cl)c2ccccc12)C(C)C
InChIInChI=1S/C16H20ClN/c1-4-18-16(11(2)3)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3
InChIKeyIMRUKSZMZMNDPN-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.80
Rot. Bonds4

About 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine

1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 79597096) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID79597096
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(Cl)c2ccccc12)C(C)C
InChIInChI=1S/C16H20ClN/c1-4-18-16(11(2)3)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3
InChIKeyIMRUKSZMZMNDPN-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518952
N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79809208
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 79596816
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 115801757
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
CID 79596838
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
CID 79591637
1-chloro-4-(1-chloro-3,4,4-trimethylpentyl)naphthalene
CID 79596839
1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine (CID 79597096) is 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1ccc(Cl)c2ccccc12)C(C)C.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is IMRUKSZMZMNDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c1-4-18-16(11(2)3)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine?
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 261.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 79597096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).