N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine

C19H33NO2 — CID 54804883

IUPACN-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(OC(C)CC)cc1OC(C)CC
InChIInChI=1S/C19H33NO2/c1-6-9-12-20-14-17-10-11-18(21-15(4)7-2)13-19(17)22-16(5)8-3/h10-11,13,15-16,20H,6-9,12,14H2,1-5H3
InChIKeyJBYIBAYGMQROSO-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.93
Rot. Bonds11

About N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine

N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine (PubChem CID 54804883) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine
PubChem CID54804883
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(OC(C)CC)cc1OC(C)CC
InChIInChI=1S/C19H33NO2/c1-6-9-12-20-14-17-10-11-18(21-15(4)7-2)13-19(17)22-16(5)8-3/h10-11,13,15-16,20H,6-9,12,14H2,1-5H3
InChIKeyJBYIBAYGMQROSO-UHFFFAOYSA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2,4-di(butan-2-yloxy)phenyl]methyl]hexan-1-amine
CID 54805292
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
N-[(4-butan-2-yloxy-3-ethoxyphenyl)methyl]butan-1-amine
CID 132649786
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
CID 62901536
lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide
CID 141016038

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine?
The IUPAC name of N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine (CID 54804883) is N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine?
The canonical SMILES for N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine is CCCCNCc1ccc(OC(C)CC)cc1OC(C)CC.
What is the InChIKey of N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine?
The InChIKey is JBYIBAYGMQROSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-6-9-12-20-14-17-10-11-18(21-15(4)7-2)13-19(17)22-16(5)8-3/h10-11,13,15-16,20H,6-9,12,14H2,1-5H3.
What are the key properties of N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine?
N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine has a molecular weight of 307.48 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 54804883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).