N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine

C16H26ClN — CID 79446177

IUPACN-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CNC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-6-12(2)14(11-18-16(3,4)5)13-9-7-8-10-15(13)17/h7-10,12,14,18H,6,11H2,1-5H3
InChIKeyPRGWENGNNLISFP-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.86
Rot. Bonds5

About N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine

N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine (PubChem CID 79446177) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
PubChem CID79446177
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CNC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-6-12(2)14(11-18-16(3,4)5)13-9-7-8-10-15(13)17/h7-10,12,14,18H,6,11H2,1-5H3
InChIKeyPRGWENGNNLISFP-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
CID 102984855
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine
CID 107887186
N-tert-butyl-3-(2-chlorophenyl)butan-1-amine
CID 81018856
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
N-tert-butyl-3-methyl-2-pyridin-3-ylpentan-1-amine
CID 80522237
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204942
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine (CID 79446177) is N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine is CCC(C)C(CNC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
The InChIKey is PRGWENGNNLISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-6-12(2)14(11-18-16(3,4)5)13-9-7-8-10-15(13)17/h7-10,12,14,18H,6,11H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine?
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 79446177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).