2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine

C17H29NO — CID 79198405

IUPAC2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
SMILESCCCNC(CCCc1ccccc1)C(C)(C)OC
InChIInChI=1S/C17H29NO/c1-5-14-18-16(17(2,3)19-4)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3
InChIKeyLAGPXJJFHAABBX-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.80
Rot. Bonds9

About 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine

2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine (PubChem CID 79198405) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
PubChem CID79198405
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
SMILESCCCNC(CCCc1ccccc1)C(C)(C)OC
InChIInChI=1S/C17H29NO/c1-5-14-18-16(17(2,3)19-4)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3
InChIKeyLAGPXJJFHAABBX-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
CID 79057538
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
2-methoxy-2-methyl-6-phenylhexan-3-amine
CID 79197663
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
5-methoxy-1-phenyl-N-propyloctan-4-amine
CID 116719481
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
6-phenyl-N-propylhexan-2-amine
CID 61485022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine?
The IUPAC name of 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine (CID 79198405) is 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine.
What is the SMILES notation for 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine?
The canonical SMILES for 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine is CCCNC(CCCc1ccccc1)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine?
The InChIKey is LAGPXJJFHAABBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-14-18-16(17(2,3)19-4)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine?
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine has a molecular weight of 263.42 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine is sourced from PubChem (CID 79198405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).