1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride

C18H30ClNO — CID 170889904

IUPAC1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(C(C)CC)ccc1OCC1CC1.Cl
InChIInChI=1S/C18H29NO.ClH/c1-4-13(3)15-8-9-18(20-12-14-6-7-14)16(10-15)11-17(19)5-2;/h8-10,13-14,17H,4-7,11-12,19H2,1-3H3;1H
InChIKeyZGOJMPXOPNKNCG-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.69
Rot. Bonds8

About 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride

1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride (PubChem CID 170889904) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
PubChem CID170889904
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(C(C)CC)ccc1OCC1CC1.Cl
InChIInChI=1S/C18H29NO.ClH/c1-4-13(3)15-8-9-18(20-12-14-6-7-14)16(10-15)11-17(19)5-2;/h8-10,13-14,17H,4-7,11-12,19H2,1-3H3;1H
InChIKeyZGOJMPXOPNKNCG-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.69
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-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889903
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[3-benzyl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170890609
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
CID 170890274
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309

Frequently Asked Questions

What is the IUPAC name of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride (CID 170889904) is 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(C(C)CC)ccc1OCC1CC1.Cl.
What is the InChIKey of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
The InChIKey is ZGOJMPXOPNKNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.ClH/c1-4-13(3)15-8-9-18(20-12-14-6-7-14)16(10-15)11-17(19)5-2;/h8-10,13-14,17H,4-7,11-12,19H2,1-3H3;1H.
What are the key properties of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride?
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride has a molecular weight of 311.90 g/mol, XLogP of 4.69, 8 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-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170889904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).