2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine

C16H27NO — CID 115003008

IUPAC2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)OCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-12-17-14-16(3,5-2)18-13-11-15-9-7-6-8-10-15/h6-10,17H,4-5,11-14H2,1-3H3
InChIKeyZXMOTPYIIZJANN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.41
Rot. Bonds9

About 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine

2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine (PubChem CID 115003008) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine
PubChem CID115003008
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)OCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-12-17-14-16(3,5-2)18-13-11-15-9-7-6-8-10-15/h6-10,17H,4-5,11-14H2,1-3H3
InChIKeyZXMOTPYIIZJANN-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.41
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-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62353829
N-ethyl-2-methyl-2-phenylmethoxybutan-1-amine
CID 62353232
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
2,2-diethyl-5-phenyl-N-propylpentan-1-amine
CID 63509322
N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
CID 114998432
tert-butyl N-[3-iodo-2-methyl-2-(2-phenylethoxy)propyl]carbamate
CID 165493506
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
2-ethyl-2-(2-phenylethoxy)butanoic acid
CID 114992375
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
5-phenyl-N-propylpentan-1-amine
CID 62530615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine (CID 115003008) is 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine is CCCNCC(C)(CC)OCCc1ccccc1.
What is the InChIKey of 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine?
The InChIKey is ZXMOTPYIIZJANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-12-17-14-16(3,5-2)18-13-11-15-9-7-6-8-10-15/h6-10,17H,4-5,11-14H2,1-3H3.
What are the key properties of 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine?
2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 115003008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).