1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine

C16H27NO — CID 170891440

IUPAC1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(C(C)CC)cc1CC(C)N
InChIInChI=1S/C16H27NO/c1-5-9-18-16-8-7-14(12(3)6-2)11-15(16)10-13(4)17/h7-8,11-13H,5-6,9-10,17H2,1-4H3
InChIKeyTZHQABUBCPBCDQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.88
Rot. Bonds7

About 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine

1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine (PubChem CID 170891440) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
PubChem CID170891440
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(C(C)CC)cc1CC(C)N
InChIInChI=1S/C16H27NO/c1-5-9-18-16-8-7-14(12(3)6-2)11-15(16)10-13(4)17/h7-8,11-13H,5-6,9-10,17H2,1-4H3
InChIKeyTZHQABUBCPBCDQ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
CID 170891416
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
CID 79304005
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
CID 82054018

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine (CID 170891440) is 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine is CCCOc1ccc(C(C)CC)cc1CC(C)N.
What is the InChIKey of 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine?
The InChIKey is TZHQABUBCPBCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-18-16-8-7-14(12(3)6-2)11-15(16)10-13(4)17/h7-8,11-13H,5-6,9-10,17H2,1-4H3.
What are the key properties of 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine?
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine is sourced from PubChem (CID 170891440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).