N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine

C17H28ClNO — CID 63521687

IUPACN-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(Cl)cc1CC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H28ClNO/c1-12(2)14(11-19-17(3,4)5)9-13-10-15(18)7-8-16(13)20-6/h7-8,10,12,14,19H,9,11H2,1-6H3
InChIKeyBZYVXERDQGAKRM-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.55
Rot. Bonds6

About N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine

N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 63521687) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
PubChem CID63521687
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC NameN-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(Cl)cc1CC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H28ClNO/c1-12(2)14(11-19-17(3,4)5)9-13-10-15(18)7-8-16(13)20-6/h7-8,10,12,14,19H,9,11H2,1-6H3
InChIKeyBZYVXERDQGAKRM-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
CID 63521505
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105297648
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine (CID 63521687) is N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine is COc1ccc(Cl)cc1CC(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is BZYVXERDQGAKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-12(2)14(11-19-17(3,4)5)9-13-10-15(18)7-8-16(13)20-6/h7-8,10,12,14,19H,9,11H2,1-6H3.
What are the key properties of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine?
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 63521687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).