4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol

C16H26N2O2 — CID 62261909

IUPAC4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol
SMILESCCCNCC1(CN(C)c2ccc(O)cc2)CCOC1
InChIInChI=1S/C16H26N2O2/c1-3-9-17-11-16(8-10-20-13-16)12-18(2)14-4-6-15(19)7-5-14/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeySFRDHPJGFRWJLR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds7

About 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol

4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol (PubChem CID 62261909) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol.

Molecular Properties

Compound Name4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol
PubChem CID62261909
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol
SMILESCCCNCC1(CN(C)c2ccc(O)cc2)CCOC1
InChIInChI=1S/C16H26N2O2/c1-3-9-17-11-16(8-10-20-13-16)12-18(2)14-4-6-15(19)7-5-14/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeySFRDHPJGFRWJLR-UHFFFAOYSA-N
XLogP2.23
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
CID 55056002
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol
CID 62390236
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-[[3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255991
N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol?
The IUPAC name of 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol (CID 62261909) is 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol.
What is the SMILES notation for 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol?
The canonical SMILES for 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol is CCCNCC1(CN(C)c2ccc(O)cc2)CCOC1.
What is the InChIKey of 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol?
The InChIKey is SFRDHPJGFRWJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-17-11-16(8-10-20-13-16)12-18(2)14-4-6-15(19)7-5-14/h4-7,17,19H,3,8-13H2,1-2H3.
What are the key properties of 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol?
4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol is sourced from PubChem (CID 62261909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).