N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine

C17H27NO — CID 105349885

IUPACN-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1ccc(COCC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)11-18-10-9-15-3-5-16(6-4-15)12-19-13-17-7-8-17/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyXAYHJWQZQSGJEU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.40
Rot. Bonds9

About N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine

N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine (PubChem CID 105349885) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
PubChem CID105349885
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1ccc(COCC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)11-18-10-9-15-3-5-16(6-4-15)12-19-13-17-7-8-17/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyXAYHJWQZQSGJEU-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105349058
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
CID 103285685
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105350841
2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
CID 105351097
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558833
2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
CID 162110606
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine (CID 105349885) is N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCc1ccc(COCC2CC2)cc1.
What is the InChIKey of N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine?
The InChIKey is XAYHJWQZQSGJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)11-18-10-9-15-3-5-16(6-4-15)12-19-13-17-7-8-17/h3-6,14,17-18H,7-13H2,1-2H3.
What are the key properties of N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine?
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105349885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).