N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine

C17H29NO — CID 62106007

IUPACN-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)9-10-19-17(12-18-14(3)4)16-8-6-7-15(5)11-16/h6-8,11,13-14,17-18H,9-10,12H2,1-5H3
InChIKeyCIRCZYPDNWOTGK-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine

N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 62106007) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID62106007
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)9-10-19-17(12-18-14(3)4)16-8-6-7-15(5)11-16/h6-8,11,13-14,17-18H,9-10,12H2,1-5H3
InChIKeyCIRCZYPDNWOTGK-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 103285192
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62106839
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
1-[2-bromo-1-(4-methylpentoxy)ethyl]-3-methylbenzene
CID 63474054
N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106449148
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108478
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine (CID 62106007) is N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is Cc1cccc(C(CNC(C)C)OCCC(C)C)c1.
What is the InChIKey of N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is CIRCZYPDNWOTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)9-10-19-17(12-18-14(3)4)16-8-6-7-15(5)11-16/h6-8,11,13-14,17-18H,9-10,12H2,1-5H3.
What are the key properties of N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine?
N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62106007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).