2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol

C18H31NO2 — CID 103859561

IUPAC2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
SMILESCC(C)CCOc1ccc(CNCCCC(C)CO)cc1
InChIInChI=1S/C18H31NO2/c1-15(2)10-12-21-18-8-6-17(7-9-18)13-19-11-4-5-16(3)14-20/h6-9,15-16,19-20H,4-5,10-14H2,1-3H3
InChIKeyHYQNECNDLWDNFO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.61
Rot. Bonds11

About 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol

2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol (PubChem CID 103859561) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
PubChem CID103859561
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
SMILESCC(C)CCOc1ccc(CNCCCC(C)CO)cc1
InChIInChI=1S/C18H31NO2/c1-15(2)10-12-21-18-8-6-17(7-9-18)13-19-11-4-5-16(3)14-20/h6-9,15-16,19-20H,4-5,10-14H2,1-3H3
InChIKeyHYQNECNDLWDNFO-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
4-[[(5-hydroxy-4-methylpentyl)amino]methyl]benzonitrile
CID 103859641
5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160128
N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 60926493
N-[2-[[4-(3-methylbutoxy)phenyl]methylamino]ethyl]methanesulfonamide
CID 29270866
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
CID 63450563
5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
CID 103859647
2-methyl-5-[(4-nitrophenyl)methylamino]pentan-1-ol
CID 103859631
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
CID 114750364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol (CID 103859561) is 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol is CC(C)CCOc1ccc(CNCCCC(C)CO)cc1.
What is the InChIKey of 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol?
The InChIKey is HYQNECNDLWDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)10-12-21-18-8-6-17(7-9-18)13-19-11-4-5-16(3)14-20/h6-9,15-16,19-20H,4-5,10-14H2,1-3H3.
What are the key properties of 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol?
2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 103859561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).