N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine

C18H27NO2 — CID 79883823

IUPACN-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESc1ccc(C2CC2)c(CNCCCOCC2CCCO2)c1
InChIInChI=1S/C18H27NO2/c1-2-7-18(15-8-9-15)16(5-1)13-19-10-4-11-20-14-17-6-3-12-21-17/h1-2,5,7,15,17,19H,3-4,6,8-14H2
InChIKeyWMGWRCVCCOTOCV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds9

About N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine

N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 79883823) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID79883823
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESc1ccc(C2CC2)c(CNCCCOCC2CCCO2)c1
InChIInChI=1S/C18H27NO2/c1-2-7-18(15-8-9-15)16(5-1)13-19-10-4-11-20-14-17-6-3-12-21-17/h1-2,5,7,15,17,19H,3-4,6,8-14H2
InChIKeyWMGWRCVCCOTOCV-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
N-[(4-bromo-2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115651725
3-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]-1H-quinolin-2-one
CID 119136098
N-[(2-bromo-4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115556603
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62760624
N-[(3,4-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182506

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (CID 79883823) is N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is c1ccc(C2CC2)c(CNCCCOCC2CCCO2)c1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is WMGWRCVCCOTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-7-18(15-8-9-15)16(5-1)13-19-10-4-11-20-14-17-6-3-12-21-17/h1-2,5,7,15,17,19H,3-4,6,8-14H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 79883823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).