N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine

C15H23NO — CID 61065088

IUPACN-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)C1CCCO1
InChIInChI=1S/C15H23NO/c1-2-10-16-14(15-9-6-11-17-15)12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyDJQWJAWCUVRVCM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.78
Rot. Bonds6

About N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine

N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine (PubChem CID 61065088) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
PubChem CID61065088
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)C1CCCO1
InChIInChI=1S/C15H23NO/c1-2-10-16-14(15-9-6-11-17-15)12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3
InChIKeyDJQWJAWCUVRVCM-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
CID 125486090
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
CID 125485962
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine (CID 61065088) is N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is DJQWJAWCUVRVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-10-16-14(15-9-6-11-17-15)12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine?
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 61065088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).