N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine

C19H31NO — CID 79755119

IUPACN-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC(C)C)cc1)C1CCOC1C
InChIInChI=1S/C19H31NO/c1-5-11-20-19(18-10-12-21-15(18)4)17-8-6-16(7-9-17)13-14(2)3/h6-9,14-15,18-20H,5,10-13H2,1-4H3
InChIKeyZVECUFUSNLLZKE-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds7

About N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine

N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine (PubChem CID 79755119) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
PubChem CID79755119
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC(C)C)cc1)C1CCOC1C
InChIInChI=1S/C19H31NO/c1-5-11-20-19(18-10-12-21-15(18)4)17-8-6-16(7-9-17)13-14(2)3/h6-9,14-15,18-20H,5,10-13H2,1-4H3
InChIKeyZVECUFUSNLLZKE-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[1,4-dioxan-2-yl-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 62805613
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[(4-bromo-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79758101
N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115805290
N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine (CID 79755119) is N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccc(CC(C)C)cc1)C1CCOC1C.
What is the InChIKey of N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The InChIKey is ZVECUFUSNLLZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-11-20-19(18-10-12-21-15(18)4)17-8-6-16(7-9-17)13-14(2)3/h6-9,14-15,18-20H,5,10-13H2,1-4H3.
What are the key properties of N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79755119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).