N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

C17H29NO — CID 2242368

IUPACN-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1ccccc1CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-19-15-11-9-8-10-14(15)12-18-17(5,6)13-16(2,3)4/h8-11,18H,7,12-13H2,1-6H3
InChIKeyXCGKNRPHKCAQCL-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.39
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine

N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 2242368) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID2242368
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1ccccc1CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-19-15-11-9-8-10-14(15)12-18-17(5,6)13-16(2,3)4/h8-11,18H,7,12-13H2,1-6H3
InChIKeyXCGKNRPHKCAQCL-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 6459149
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722849
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17332966
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17212690
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
methyl 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl]acetate
CID 115461831
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine (CID 2242368) is N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is CCOc1ccccc1CNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is XCGKNRPHKCAQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-19-15-11-9-8-10-14(15)12-18-17(5,6)13-16(2,3)4/h8-11,18H,7,12-13H2,1-6H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine?
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 2242368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).