N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine

C16H26N2O — CID 115210749

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
SMILESCC(C)Oc1ccc(CNCCC2CCNC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)19-16-5-3-14(4-6-16)11-17-9-7-15-8-10-18-12-15/h3-6,13,15,17-18H,7-12H2,1-2H3
InChIKeyIKTHCBBXBNMRQB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.56
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine

N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine (PubChem CID 115210749) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
PubChem CID115210749
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
SMILESCC(C)Oc1ccc(CNCCC2CCNC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)19-16-5-3-14(4-6-16)11-17-9-7-15-8-10-18-12-15/h3-6,13,15,17-18H,7-12H2,1-2H3
InChIKeyIKTHCBBXBNMRQB-UHFFFAOYSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210731
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210742
2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
CID 115211361
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962514
2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54807291
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine (CID 115210749) is N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine is CC(C)Oc1ccc(CNCCC2CCNC2)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
The InChIKey is IKTHCBBXBNMRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)19-16-5-3-14(4-6-16)11-17-9-7-15-8-10-18-12-15/h3-6,13,15,17-18H,7-12H2,1-2H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 115210749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).