N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C18H28N2O — CID 43792549

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1ccc(CCC(C)NC2CCN3CCCC23)cc1
InChIInChI=1S/C18H28N2O/c1-14(5-6-15-7-9-16(21-2)10-8-15)19-17-11-13-20-12-3-4-18(17)20/h7-10,14,17-19H,3-6,11-13H2,1-2H3
InChIKeyRFXPWJXQFJSJAX-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds6

About N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43792549) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43792549
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCOc1ccc(CCC(C)NC2CCN3CCCC23)cc1
InChIInChI=1S/C18H28N2O/c1-14(5-6-15-7-9-16(21-2)10-8-15)19-17-11-13-20-12-3-4-18(17)20/h7-10,14,17-19H,3-6,11-13H2,1-2H3
InChIKeyRFXPWJXQFJSJAX-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[4-(4-methoxyphenyl)butan-2-yl]thian-3-amine
CID 115726558
(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 1378447
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500
N-(1-pyrrolidin-1-ylpropan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853044
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
CID 52508214
N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
CID 95155246
N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 115716868
1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 86855169

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43792549) is N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is COc1ccc(CCC(C)NC2CCN3CCCC23)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is RFXPWJXQFJSJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(5-6-15-7-9-16(21-2)10-8-15)19-17-11-13-20-12-3-4-18(17)20/h7-10,14,17-19H,3-6,11-13H2,1-2H3.
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43792549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).