N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride

C16H28ClNO — CID 17331447

IUPACN-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
SMILESCOc1ccc(CNC(C)(C)CC(C)(C)C)cc1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-15(2,3)12-16(4,5)17-11-13-7-9-14(18-6)10-8-13;/h7-10,17H,11-12H2,1-6H3;1H
InChIKeyYNTPOHCUIDRSEI-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.42
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride

N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride (PubChem CID 17331447) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
PubChem CID17331447
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
SMILESCOc1ccc(CNC(C)(C)CC(C)(C)C)cc1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-15(2,3)12-16(4,5)17-11-13-7-9-14(18-6)10-8-13;/h7-10,17H,11-12H2,1-6H3;1H
InChIKeyYNTPOHCUIDRSEI-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
1-chloro-N-[(4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026790
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
5,5,5-trifluoro-4-N-[(4-methoxyphenyl)methyl]-2,2,4-trimethyl-1-N-(1,1,1-trifluoro-2,4,4-trimethylpentan-2-yl)pentane-1,4-diamine
CID 134350848
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43731289
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
CID 4723305
N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43788172
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride (CID 17331447) is N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride is COc1ccc(CNC(C)(C)CC(C)(C)C)cc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
The InChIKey is YNTPOHCUIDRSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-15(2,3)12-16(4,5)17-11-13-7-9-14(18-6)10-8-13;/h7-10,17H,11-12H2,1-6H3;1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride?
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride is sourced from PubChem (CID 17331447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).