1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride

C19H32ClNO2 — CID 170890274

IUPAC1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
SMILESCCCOc1ccc(CCOCC2CC2)cc1CC(N)CC.Cl
InChIInChI=1S/C19H31NO2.ClH/c1-3-10-22-19-8-7-15(9-11-21-14-16-5-6-16)12-17(19)13-18(20)4-2;/h7-8,12,16,18H,3-6,9-11,13-14,20H2,1-2H3;1H
InChIKeyDFYWLBMIEDNFBK-UHFFFAOYSA-N
MW341.92 g/mol
LogP4.15
Rot. Bonds11

About 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride

1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride (PubChem CID 170890274) has the molecular formula C19H32ClNO2 and a molecular weight of 341.92 g/mol. Its IUPAC name is 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
PubChem CID170890274
Molecular FormulaC19H32ClNO2
Molecular Weight341.92 g/mol
Exact Mass341.21
IUPAC Name1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
SMILESCCCOc1ccc(CCOCC2CC2)cc1CC(N)CC.Cl
InChIInChI=1S/C19H31NO2.ClH/c1-3-10-22-19-8-7-15(9-11-21-14-16-5-6-16)12-17(19)13-18(20)4-2;/h7-8,12,16,18H,3-6,9-11,13-14,20H2,1-2H3;1H
InChIKeyDFYWLBMIEDNFBK-UHFFFAOYSA-N
XLogP4.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-(cyclopropylmethoxy)ethyl]-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890268
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[3-benzyl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170890609
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890212
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
CID 170890481
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889903

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride (CID 170890274) is 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride is CCCOc1ccc(CCOCC2CC2)cc1CC(N)CC.Cl.
What is the InChIKey of 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride?
The InChIKey is DFYWLBMIEDNFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2.ClH/c1-3-10-22-19-8-7-15(9-11-21-14-16-5-6-16)12-17(19)13-18(20)4-2;/h7-8,12,16,18H,3-6,9-11,13-14,20H2,1-2H3;1H.
What are the key properties of 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride?
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride has a molecular weight of 341.92 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).