1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride

C19H32ClNO — CID 170890212

IUPAC1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1ccc(CC(N)CC)cc1C1CCCCC1.Cl
InChIInChI=1S/C19H31NO.ClH/c1-3-12-21-19-11-10-15(13-17(20)4-2)14-18(19)16-8-6-5-7-9-16;/h10-11,14,16-17H,3-9,12-13,20H2,1-2H3;1H
InChIKeyAECYUFBQTOTXCW-UHFFFAOYSA-N
MW325.92 g/mol
LogP5.22
Rot. Bonds7

About 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride

1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170890212) has the molecular formula C19H32ClNO and a molecular weight of 325.92 g/mol. Its IUPAC name is 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170890212
Molecular FormulaC19H32ClNO
Molecular Weight325.92 g/mol
Exact Mass325.22
IUPAC Name1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1ccc(CC(N)CC)cc1C1CCCCC1.Cl
InChIInChI=1S/C19H31NO.ClH/c1-3-12-21-19-11-10-15(13-17(20)4-2)14-18(19)16-8-6-5-7-9-16;/h10-11,14,16-17H,3-9,12-13,20H2,1-2H3;1H
InChIKeyAECYUFBQTOTXCW-UHFFFAOYSA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.92
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
CID 118252120
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-[4-methoxy-3-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455598
1-(3-phenyl-4-propoxyphenyl)butan-2-amine
CID 170890577
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589
2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
CID 170888196
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
CID 170890274
1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride (CID 170890212) is 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride is CCCOc1ccc(CC(N)CC)cc1C1CCCCC1.Cl.
What is the InChIKey of 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is AECYUFBQTOTXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.ClH/c1-3-12-21-19-11-10-15(13-17(20)4-2)14-18(19)16-8-6-5-7-9-16;/h10-11,14,16-17H,3-9,12-13,20H2,1-2H3;1H.
What are the key properties of 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 325.92 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).