2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline

C19H26N2O — CID 82153119

IUPAC2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
SMILESCC(C)NCCCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C19H26N2O/c1-15(2)21-12-6-9-16-10-11-19(18(20)13-16)22-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,21H,6,9,12,14,20H2,1-2H3
InChIKeyDPDFIZFCLMCZMM-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.78
Rot. Bonds8

About 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline

2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline (PubChem CID 82153119) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline.

Molecular Properties

Compound Name2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
PubChem CID82153119
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
SMILESCC(C)NCCCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C19H26N2O/c1-15(2)21-12-6-9-16-10-11-19(18(20)13-16)22-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,21H,6,9,12,14,20H2,1-2H3
InChIKeyDPDFIZFCLMCZMM-UHFFFAOYSA-N
XLogP3.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
CID 70392380
5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
CID 94759766
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
CID 82257717
2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline
CID 84677881
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
CID 70412352
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
N-[3-[3-amino-4-(2-methylpropoxy)phenyl]propyl]cycloheptanamine
CID 94759806

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline?
The IUPAC name of 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline (CID 82153119) is 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline.
What is the SMILES notation for 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline?
The canonical SMILES for 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline is CC(C)NCCCc1ccc(OCc2ccccc2)c(N)c1.
What is the InChIKey of 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline?
The InChIKey is DPDFIZFCLMCZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(2)21-12-6-9-16-10-11-19(18(20)13-16)22-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,15,21H,6,9,12,14,20H2,1-2H3.
What are the key properties of 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline?
2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline has a molecular weight of 298.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline is sourced from PubChem (CID 82153119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).