1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine

C18H29NO — CID 170889903

IUPAC1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CC2)c(C(C)CC)c1
InChIInChI=1S/C18H29NO/c1-4-13(3)17-11-15(10-16(19)5-2)8-9-18(17)20-12-14-6-7-14/h8-9,11,13-14,16H,4-7,10,12,19H2,1-3H3
InChIKeyMCWRJSUNUHOGRJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.27
Rot. Bonds8

About 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine

1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine (PubChem CID 170889903) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
PubChem CID170889903
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CC2)c(C(C)CC)c1
InChIInChI=1S/C18H29NO/c1-4-13(3)17-11-15(10-16(19)5-2)8-9-18(17)20-12-14-6-7-14/h8-9,11,13-14,16H,4-7,10,12,19H2,1-3H3
InChIKeyMCWRJSUNUHOGRJ-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-benzyl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170890609
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
1-[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]butan-2-amine
CID 63052364
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673

Frequently Asked Questions

What is the IUPAC name of 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine (CID 170889903) is 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(OCC2CC2)c(C(C)CC)c1.
What is the InChIKey of 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine?
The InChIKey is MCWRJSUNUHOGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-13(3)17-11-15(10-16(19)5-2)8-9-18(17)20-12-14-6-7-14/h8-9,11,13-14,16H,4-7,10,12,19H2,1-3H3.
What are the key properties of 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine?
1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 170889903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).