1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride

C15H26ClNO — CID 170890481

IUPAC1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
SMILESCCCc1cc(CC(N)CC)ccc1OCC.Cl
InChIInChI=1S/C15H25NO.ClH/c1-4-7-13-10-12(11-14(16)5-2)8-9-15(13)17-6-3;/h8-10,14H,4-7,11,16H2,1-3H3;1H
InChIKeyWYGNYMYSCOTPBQ-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.74
Rot. Bonds7

About 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride

1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride (PubChem CID 170890481) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
PubChem CID170890481
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
SMILESCCCc1cc(CC(N)CC)ccc1OCC.Cl
InChIInChI=1S/C15H25NO.ClH/c1-4-7-13-10-12(11-14(16)5-2)8-9-15(13)17-6-3;/h8-10,14H,4-7,11,16H2,1-3H3;1H
InChIKeyWYGNYMYSCOTPBQ-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
CID 170890383
1-[4-ethoxy-3-(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170890489
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
1-(4-chloro-3-ethoxyphenyl)butan-2-amine
CID 118252081
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
[4-(2-aminobutyl)-2-ethoxyphenyl] acetate
CID 170889343
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[3-benzyl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170890609
1-(3-ethoxy-4-pent-3-ynoxyphenyl)butan-2-amine
CID 104807754

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride (CID 170890481) is 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride is CCCc1cc(CC(N)CC)ccc1OCC.Cl.
What is the InChIKey of 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride?
The InChIKey is WYGNYMYSCOTPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-4-7-13-10-12(11-14(16)5-2)8-9-15(13)17-6-3;/h8-10,14H,4-7,11,16H2,1-3H3;1H.
What are the key properties of 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride?
1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).