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

C17H27NO — CID 105349891

IUPAC2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-10-18-11-14(2)17-8-6-16(7-9-17)13-19-12-15-4-5-15/h6-9,14-15,18H,3-5,10-13H2,1-2H3
InChIKeyHCMJHMDLOFHZEJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds9

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

2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 105349891) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
PubChem CID105349891
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-10-18-11-14(2)17-8-6-16(7-9-17)13-19-12-15-4-5-15/h6-9,14-15,18H,3-5,10-13H2,1-2H3
InChIKeyHCMJHMDLOFHZEJ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
CID 105351097
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349096
2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349742
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine (CID 105349891) is 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(COCC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is HCMJHMDLOFHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-10-18-11-14(2)17-8-6-16(7-9-17)13-19-12-15-4-5-15/h6-9,14-15,18H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine?
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105349891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).