12-(1-methylanthracen-9-yl)oxydodecan-1-amine

C27H37NO — CID 21280835

IUPAC12-(1-methylanthracen-9-yl)oxydodecan-1-amine
SMILESCc1cccc2cc3ccccc3c(OCCCCCCCCCCCCN)c12
InChIInChI=1S/C27H37NO/c1-22-15-14-17-24-21-23-16-10-11-18-25(23)27(26(22)24)29-20-13-9-7-5-3-2-4-6-8-12-19-28/h10-11,14-18,21H,2-9,12-13,19-20,28H2,1H3
InChIKeyGUUIYONQLZSZAX-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.54
Rot. Bonds13

About 12-(1-methylanthracen-9-yl)oxydodecan-1-amine

12-(1-methylanthracen-9-yl)oxydodecan-1-amine (PubChem CID 21280835) has the molecular formula C27H37NO and a molecular weight of 391.60 g/mol. Its IUPAC name is 12-(1-methylanthracen-9-yl)oxydodecan-1-amine.

Molecular Properties

Compound Name12-(1-methylanthracen-9-yl)oxydodecan-1-amine
PubChem CID21280835
Molecular FormulaC27H37NO
Molecular Weight391.60 g/mol
Exact Mass391.29
IUPAC Name12-(1-methylanthracen-9-yl)oxydodecan-1-amine
SMILESCc1cccc2cc3ccccc3c(OCCCCCCCCCCCCN)c12
InChIInChI=1S/C27H37NO/c1-22-15-14-17-24-21-23-16-10-11-18-25(23)27(26(22)24)29-20-13-9-7-5-3-2-4-6-8-12-19-28/h10-11,14-18,21H,2-9,12-13,19-20,28H2,1H3
InChIKeyGUUIYONQLZSZAX-UHFFFAOYSA-N
XLogP7.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-methoxybutoxy)-1-methylanthracene
CID 87560053
4-anthracen-9-yloxybutan-1-amine
CID 14373236
9-(2-methoxyanthracen-9-yl)oxynonan-1-amine
CID 21280841
9-(9-chlorononoxy)anthracene
CID 21280847
3-anthracen-9-yloxypropan-1-amine;sulfuric acid
CID 21280798
5-[2-(2,6-dimethylphenoxy)ethoxy]pentan-1-amine
CID 82353657
6-(1,4,5,7-tetramethylanthracen-9-yl)oxyhexan-1-amine
CID 21280848
butan-1-amine;1-methylnaphthalene
CID 143588906
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
21-methylhexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CID 17876
7-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]heptan-1-amine
CID 21281226
3-hexoxy-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 140901514

Frequently Asked Questions

What is the IUPAC name of 12-(1-methylanthracen-9-yl)oxydodecan-1-amine?
The IUPAC name of 12-(1-methylanthracen-9-yl)oxydodecan-1-amine (CID 21280835) is 12-(1-methylanthracen-9-yl)oxydodecan-1-amine.
What is the SMILES notation for 12-(1-methylanthracen-9-yl)oxydodecan-1-amine?
The canonical SMILES for 12-(1-methylanthracen-9-yl)oxydodecan-1-amine is Cc1cccc2cc3ccccc3c(OCCCCCCCCCCCCN)c12.
What is the InChIKey of 12-(1-methylanthracen-9-yl)oxydodecan-1-amine?
The InChIKey is GUUIYONQLZSZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO/c1-22-15-14-17-24-21-23-16-10-11-18-25(23)27(26(22)24)29-20-13-9-7-5-3-2-4-6-8-12-19-28/h10-11,14-18,21H,2-9,12-13,19-20,28H2,1H3.
What are the key properties of 12-(1-methylanthracen-9-yl)oxydodecan-1-amine?
12-(1-methylanthracen-9-yl)oxydodecan-1-amine has a molecular weight of 391.60 g/mol, XLogP of 7.54, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1-methylanthracen-9-yl)oxydodecan-1-amine is sourced from PubChem (CID 21280835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).