2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine

C17H29NO — CID 55106604

IUPAC2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1ccccc1OC
InChIInChI=1S/C17H29NO/c1-5-12-18-14-17(6-2,7-3)13-15-10-8-9-11-16(15)19-4/h8-11,18H,5-7,12-14H2,1-4H3
InChIKeyNTCABWQFZPIYMY-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds9

About 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine

2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine (PubChem CID 55106604) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
PubChem CID55106604
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1ccccc1OC
InChIInChI=1S/C17H29NO/c1-5-12-18-14-17(6-2,7-3)13-15-10-8-9-11-16(15)19-4/h8-11,18H,5-7,12-14H2,1-4H3
InChIKeyNTCABWQFZPIYMY-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725440
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
CID 63509306
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62723751
N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 81021747
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 104794761
2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 114933584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine (CID 55106604) is 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine is CCCNCC(CC)(CC)Cc1ccccc1OC.
What is the InChIKey of 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine?
The InChIKey is NTCABWQFZPIYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-12-18-14-17(6-2,7-3)13-15-10-8-9-11-16(15)19-4/h8-11,18H,5-7,12-14H2,1-4H3.
What are the key properties of 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine?
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 55106604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).