N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine

C16H26ClN — CID 63521505

IUPACN-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-12(2)14(11-18-16(3,4)5)10-13-6-8-15(17)9-7-13/h6-9,12,14,18H,10-11H2,1-5H3
InChIKeyDGFGWDZRXLHDBY-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.54
Rot. Bonds5

About N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine

N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine (PubChem CID 63521505) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
PubChem CID63521505
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-12(2)14(11-18-16(3,4)5)10-13-6-8-15(17)9-7-13/h6-9,12,14,18H,10-11H2,1-5H3
InChIKeyDGFGWDZRXLHDBY-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine
CID 63522223
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
CID 83182392
N-tert-butyl-2-[(2-chloro-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 106869454
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
CID 81015548
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine (CID 63521505) is N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is DGFGWDZRXLHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-12(2)14(11-18-16(3,4)5)10-13-6-8-15(17)9-7-13/h6-9,12,14,18H,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine?
N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.54, 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-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 63521505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).