2-methoxy-2-methyl-6-phenylhexan-3-amine

C14H23NO — CID 79197663

IUPAC2-methoxy-2-methyl-6-phenylhexan-3-amine
SMILESCOC(C)(C)C(N)CCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,16-3)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11,15H2,1-3H3
InChIKeyIPOCZGRRCONJLV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds6

About 2-methoxy-2-methyl-6-phenylhexan-3-amine

2-methoxy-2-methyl-6-phenylhexan-3-amine (PubChem CID 79197663) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methoxy-2-methyl-6-phenylhexan-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-6-phenylhexan-3-amine
PubChem CID79197663
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methoxy-2-methyl-6-phenylhexan-3-amine
SMILESCOC(C)(C)C(N)CCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,16-3)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11,15H2,1-3H3
InChIKeyIPOCZGRRCONJLV-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-methyl-6-phenylhexan-3-amine
CID 116726300
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
CID 103373753
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
1-dimethoxysilyl-5-phenylpentan-2-amine
CID 174935526
(4-chloro-4-methoxybutyl)benzene
CID 15657447
1-phenyloctan-4-amine
CID 79413314
7-methoxy-N,7-dimethyl-1-phenyloctan-4-amine
CID 103032342
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
6-phenyl-3-propan-2-ylhexan-2-amine
CID 62915093
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-6-phenylhexan-3-amine?
The IUPAC name of 2-methoxy-2-methyl-6-phenylhexan-3-amine (CID 79197663) is 2-methoxy-2-methyl-6-phenylhexan-3-amine.
What is the SMILES notation for 2-methoxy-2-methyl-6-phenylhexan-3-amine?
The canonical SMILES for 2-methoxy-2-methyl-6-phenylhexan-3-amine is COC(C)(C)C(N)CCCc1ccccc1.
What is the InChIKey of 2-methoxy-2-methyl-6-phenylhexan-3-amine?
The InChIKey is IPOCZGRRCONJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,16-3)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11,15H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-6-phenylhexan-3-amine?
2-methoxy-2-methyl-6-phenylhexan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 2.76, 6 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-phenylhexan-3-amine is sourced from PubChem (CID 79197663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).