[1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol

C15H22N2O — CID 82855997

IUPAC[1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
SMILESCc1ccc(NC2(CO)CCN3CCCC32)cc1
InChIInChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)16-15(11-18)8-10-17-9-2-3-14(15)17/h4-7,14,16,18H,2-3,8-11H2,1H3
InChIKeyBNKALDPNZXMWCP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.01
Rot. Bonds3

About [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol

[1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol (PubChem CID 82855997) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
PubChem CID82855997
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
SMILESCc1ccc(NC2(CO)CCN3CCCC32)cc1
InChIInChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)16-15(11-18)8-10-17-9-2-3-14(15)17/h4-7,14,16,18H,2-3,8-11H2,1H3
InChIKeyBNKALDPNZXMWCP-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromoanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82857123
1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82852829
[1-(benzylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82855751
1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853168
[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
CID 65049776
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 114839118
1-(4-chloroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
CID 82856204
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853591
1-(4-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82852908
1-(4-bromoanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
CID 82853081
[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
CID 64745873

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol?
The IUPAC name of [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol (CID 82855997) is [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol.
What is the SMILES notation for [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol?
The canonical SMILES for [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol is Cc1ccc(NC2(CO)CCN3CCCC32)cc1.
What is the InChIKey of [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol?
The InChIKey is BNKALDPNZXMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)16-15(11-18)8-10-17-9-2-3-14(15)17/h4-7,14,16,18H,2-3,8-11H2,1H3.
What are the key properties of [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol?
[1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol is sourced from PubChem (CID 82855997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).