N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine

C14H22ClN — CID 81356230

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESC[C@@H](NCCC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-11(16-10-9-14(2,3)4)12-5-7-13(15)8-6-12/h5-8,11,16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyNQFUIIMAWPXMSP-LLVKDONJSA-N
MW239.79 g/mol
LogP4.43
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 81356230) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID81356230
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESC[C@@H](NCCC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-11(16-10-9-14(2,3)4)12-5-7-13(15)8-6-12/h5-8,11,16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyNQFUIIMAWPXMSP-LLVKDONJSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
5-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,2-dimethylpentanenitrile
CID 81353286
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
3,3-dimethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 113260560
(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
CID 97322563
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179
1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 113260353
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine (CID 81356230) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine is C[C@@H](NCCC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is NQFUIIMAWPXMSP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClN/c1-11(16-10-9-14(2,3)4)12-5-7-13(15)8-6-12/h5-8,11,16H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 81356230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).