4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine

C16H27NO — CID 112512545

IUPAC4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
SMILESCC(C)C(CCN)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)15(10-11-17)13-6-8-14(9-7-13)18-16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyUQSRDJDZHSMRTR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.95
Rot. Bonds5

About 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine

4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine (PubChem CID 112512545) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
PubChem CID112512545
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
SMILESCC(C)C(CCN)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)15(10-11-17)13-6-8-14(9-7-13)18-16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyUQSRDJDZHSMRTR-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

(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
4-methyl-3-(4-propylphenyl)pentan-1-amine
CID 112507881
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783
4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine
CID 115029046
N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 96671315
[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane
CID 134293506
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
CID 117097180
3,5,6-trimethyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]octan-3-amine
CID 146334396
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine?
The IUPAC name of 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine (CID 112512545) is 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine?
The canonical SMILES for 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine is CC(C)C(CCN)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine?
The InChIKey is UQSRDJDZHSMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)15(10-11-17)13-6-8-14(9-7-13)18-16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3.
What are the key properties of 4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine?
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]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-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine is sourced from PubChem (CID 112512545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).