4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine

C16H27NO — CID 112508783

IUPAC4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
SMILESCC(C)Oc1ccc(C(CCN)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)18-14-8-6-13(7-9-14)15(10-11-17)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyAEPGZEYNRXAMHJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.95
Rot. Bonds5

About 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine

4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 112508783) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID112508783
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
SMILESCC(C)Oc1ccc(C(CCN)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)18-14-8-6-13(7-9-14)15(10-11-17)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyAEPGZEYNRXAMHJ-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
1-propan-2-yloxy-4-(2,5,5-trimethylhexan-3-yl)benzene
CID 123364737
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116934759
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
CID 116942097
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
(1R,2S)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171264340
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
CID 112512545

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine (CID 112508783) is 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine is CC(C)Oc1ccc(C(CCN)C(C)(C)C)cc1.
What is the InChIKey of 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is AEPGZEYNRXAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)18-14-8-6-13(7-9-14)15(10-11-17)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine?
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 112508783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).