3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine

C17H29NO — CID 63506069

IUPAC3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
SMILESCc1ccc(C(C)C)c(OCCNCCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)8-9-18-10-11-19-17-12-15(5)6-7-16(17)14(3)4/h6-7,12-14,18H,8-11H2,1-5H3
InChIKeyKRBDHAXOAMAHCU-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.13
Rot. Bonds8

About 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine

3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine (PubChem CID 63506069) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
PubChem CID63506069
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
SMILESCc1ccc(C(C)C)c(OCCNCCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)8-9-18-10-11-19-17-12-15(5)6-7-16(17)14(3)4/h6-7,12-14,18H,8-11H2,1-5H3
InChIKeyKRBDHAXOAMAHCU-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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

5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935
N-[2-(2-chloro-4-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62672412
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54796892
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol
CID 19957686
N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63517078
1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571514

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine (CID 63506069) is 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine is Cc1ccc(C(C)C)c(OCCNCCC(C)C)c1.
What is the InChIKey of 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine?
The InChIKey is KRBDHAXOAMAHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)8-9-18-10-11-19-17-12-15(5)6-7-16(17)14(3)4/h6-7,12-14,18H,8-11H2,1-5H3.
What are the key properties of 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine?
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine is sourced from PubChem (CID 63506069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).