1-(3-phenyl-4-propoxyphenyl)butan-2-amine

C19H25NO — CID 170890577

IUPAC1-(3-phenyl-4-propoxyphenyl)butan-2-amine
SMILESCCCOc1ccc(CC(N)CC)cc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-12-21-19-11-10-15(13-17(20)4-2)14-18(19)16-8-6-5-7-9-16/h5-11,14,17H,3-4,12-13,20H2,1-2H3
InChIKeyIIMDPYKMYYJLJV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.42
Rot. Bonds7

About 1-(3-phenyl-4-propoxyphenyl)butan-2-amine

1-(3-phenyl-4-propoxyphenyl)butan-2-amine (PubChem CID 170890577) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3-phenyl-4-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-phenyl-4-propoxyphenyl)butan-2-amine
PubChem CID170890577
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(3-phenyl-4-propoxyphenyl)butan-2-amine
SMILESCCCOc1ccc(CC(N)CC)cc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-12-21-19-11-10-15(13-17(20)4-2)14-18(19)16-8-6-5-7-9-16/h5-11,14,17H,3-4,12-13,20H2,1-2H3
InChIKeyIIMDPYKMYYJLJV-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
1-(4-phenylphenyl)butan-2-amine
CID 23591877
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-[4-methoxy-3-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455598
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589
1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890212
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-4-propoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3-phenyl-4-propoxyphenyl)butan-2-amine (CID 170890577) is 1-(3-phenyl-4-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-phenyl-4-propoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3-phenyl-4-propoxyphenyl)butan-2-amine is CCCOc1ccc(CC(N)CC)cc1-c1ccccc1.
What is the InChIKey of 1-(3-phenyl-4-propoxyphenyl)butan-2-amine?
The InChIKey is IIMDPYKMYYJLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-12-21-19-11-10-15(13-17(20)4-2)14-18(19)16-8-6-5-7-9-16/h5-11,14,17H,3-4,12-13,20H2,1-2H3.
What are the key properties of 1-(3-phenyl-4-propoxyphenyl)butan-2-amine?
1-(3-phenyl-4-propoxyphenyl)butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-4-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 170890577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).