5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine

C17H29NO — CID 63452663

IUPAC5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
SMILESCc1ccc(OCC(C)NC(C)CCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)6-9-15(4)18-16(5)12-19-17-10-7-14(3)8-11-17/h7-8,10-11,13,15-16,18H,6,9,12H2,1-5H3
InChIKeyUFKMCLYIEGCQHN-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.18
Rot. Bonds8

About 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine

5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine (PubChem CID 63452663) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
PubChem CID63452663
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
SMILESCc1ccc(OCC(C)NC(C)CCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)6-9-15(4)18-16(5)12-19-17-10-7-14(3)8-11-17/h7-8,10-11,13,15-16,18H,6,9,12H2,1-5H3
InChIKeyUFKMCLYIEGCQHN-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]butanoic acid
CID 103242905
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 61168701
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
CID 55064194
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine (CID 63452663) is 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine is Cc1ccc(OCC(C)NC(C)CCC(C)C)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine?
The InChIKey is UFKMCLYIEGCQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)6-9-15(4)18-16(5)12-19-17-10-7-14(3)8-11-17/h7-8,10-11,13,15-16,18H,6,9,12H2,1-5H3.
What are the key properties of 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine?
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine is sourced from PubChem (CID 63452663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).